CAS RN: 39379-15-2
CAS Name: 2-[[2-[[2-[[[1-[2-[[2-[[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-1-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomet
OPENEYE Name: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-
IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomet
SYSTEMATIC NAME: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-azanyl-2-[[4-azanyl-2-[[2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]
MOLECULAR FORMULA: C78H121N21O20
MOLECULAR WEIGHT: 1672.92404
SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(C)C)NC(=O)C5CCC(=O)N5
Structure:
CAS RN: 58889-67-1
CAS Name: 2-[[2-[[2-[[[1-[2-[[2-[[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-1-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomet
OPENEYE Name: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-
IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomet
SYSTEMATIC NAME: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-azanyl-2-[[4-azanyl-2-[[2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]
MOLECULAR FORMULA: C78H121N21O20
MOLECULAR WEIGHT: 1672.92404
SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(C)C)NC(=O)C5CCC(=O)N5
Structure:
CAS RN: 64088-62-6
CAS Name: 2-[[2-[[2-[[[1-[2-[[2-[[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-1-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomet
OPENEYE Name: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-
IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-amino-2-[[4-amino-2-[[4-carboxy-2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomet
SYSTEMATIC NAME: 2-[[2-[[2-[[1-[2-[[2-[[1-[6-azanyl-2-[[4-azanyl-2-[[2-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]
MOLECULAR FORMULA: C78H121N21O20
MOLECULAR WEIGHT: 1672.92404
SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(C)C)NC(=O)C5CCC(=O)N5
Structure:
CAS RN: 76712-82-8
CAS Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-[1-(phenylmethyl)-4-imidazolyl]propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-h
OPENEYE Name: N-[2-[[2-[[2-[[2-[[1-[(1-benzylimidazol-4-yl)methyl]-2-[[1-[[1-[2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]am
IUPAC Name: N-[1-[[1-[[1-[[1-[[3-(1-benzylimidazol-4-yl)-1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1
SYSTEMATIC NAME: N-[1-[[1-[[1-[[1-[[1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-[1-(phenylmethyl)imidazol-4-yl]propan-2-yl]amino]-3-(4-hydrox
MOLECULAR FORMULA: C66H86N18O12
MOLECULAR WEIGHT: 1323.50244
SMILES: CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
Structure:
CAS RN: 97613-65-5
CAS Name: (4S)-5-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomet
OPENEYE Name: (4S)-5-[[(1S)-1-[(2S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]amino]-4-[[(2S)-2-[[2-[[(2S)-2-
IUPAC Name: (4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylidene
SYSTEMATIC NAME: (4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylide
MOLECULAR FORMULA: C69H116N26O20
MOLECULAR WEIGHT: 1629.82154
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=
Structure:
CAS RN: 96736-12-8
CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-b
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl
MOLECULAR FORMULA: C79H109N19O12
MOLECULAR WEIGHT: 1516.83086
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 96497-82-4
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]-ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-butyl]-ethyl-amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amin
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-ethyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylid
MOLECULAR FORMULA: C64H83N17O12
MOLECULAR WEIGHT: 1282.45052
SMILES: CCN([C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8
Structure:
CAS RN: 128890-04-0
CAS Name: (4Z)-4-[(10Z,14Z,20Z)-10,15-bis(4-hydroxy-1-naphthalenyl)-20-(4-oxo-1-naphthalenylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]-1-naphthalenone
OPENEYE Name: (4Z)-4-[(10Z,14Z,20Z)-10,15-bis(4-hydroxy-1-naphthyl)-20-(4-oxo-1-naphthylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]naphthalen-1-one
IUPAC Name: (4Z)-4-[(10Z,14Z,20Z)-10,15-bis(4-hydroxynaphthalen-1-yl)-20-(4-oxonaphthalen-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]naphthalen-1-one
SYSTEMATIC NAME: (4Z)-4-[(10Z,15Z,19Z)-10-(4-oxidanylidenenaphthalen-1-ylidene)-15,20-bis(4-oxidanylnaphthalen-1-yl)-21,22,23,24-tetrahydroporphyrin-5-ylidene]naphthalen-1-one
MOLECULAR FORMULA: C60H38N4O4
MOLECULAR WEIGHT: 878.96812
SMILES: C1=CC=C2C(=C1)/C(=C\3/C4=CC=C(N4)/C(=C/5\N/C(=C(\C6=CC=C(N6)/C(=C\7/C8=CC=CC=C8C(=O)C=C7)/C9=CC=C3N9)/C1=CC=C(C3=CC=CC=C13)O)/C=C5)/C1=CC=C(C3=CC=CC=C13)O)/C=CC2=O
Structure:
CAS RN: 92237-18-8
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-o
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amin
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentano
MOLECULAR FORMULA: C74H121N21O14S
MOLECULAR WEIGHT: 1560.94984
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@
Structure:
CAS RN: 91847-26-6
CAS Name: N-[(2S,3S)-1-[(2S)-2-[[[(2S)-5-(diaminomethylideneamino)-1-[[6'-[[(2S)-5-(diaminomethylideneamino)-2-[[[(2S)-1-[(3S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]-3-oxo-3'-spiro[isobenzofuran-1,9'
OPENEYE Name: benzyl N-[(1S,2S)-1-[(2S)-2-[[(1S)-1-[[6'-[[(2S)-2-[[(2S)-1-[(3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]carbamoyl]-4-guanidino-butyl]carbamoy
IUPAC Name: benzyl N-[(2S,3S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[6'-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]
SYSTEMATIC NAME: (phenylmethyl) N-[(2S,3S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[6'-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-oxidanylidene-spiro
MOLECULAR FORMULA: C70H86N14O13
MOLECULAR WEIGHT: 1331.51784
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]6CCCN6C(=O)C([C@@H](C)CC)NC(=O)OCC7=CC=CC=C7)C8=CC=CC=C8C(=O)O4)NC(=O)OCC9=CC=CC=C9
Structure:
CAS RN: 76712-82-8
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-[1-(phenylmethyl)-4-imidazolyl]propan-2-yl]amino]-3-
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[(1-benzylimidazol-4-yl)methyl]-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydro
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-[1-(phenylmethyl
MOLECULAR FORMULA: C66H86N18O12
MOLECULAR WEIGHT: 1323.50244
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8
Structure:
CAS RN: 72957-38-1
CAS Name: 6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]
OPENEYE Name: 6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-penta
IUPAC Name: 6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylide
SYSTEMATIC NAME: 6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)
MOLECULAR FORMULA: C75H126N24O15
MOLECULAR WEIGHT: 1603.95474
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 145672-81-7
CAS Name: 1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(4-chlorophenyl)-1-oxopropyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]
OPENEYE Name: 1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(2-naphthyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(3-pyridyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-ureido-pent
IUPAC Name: 1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamo
SYSTEMATIC NAME: 1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-yl-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-yl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(ami
MOLECULAR FORMULA: C72H96ClN17O16
MOLECULAR WEIGHT: 1491.08994
SMILES: C[C@H](C(=O)N)NC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.CC(=O)O
Structure:
CAS RN: 149819-54-5
CAS Name: 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-pyrimidin-2-one
IUPAC Name: 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodanyl-pyrimidin-2-one
MOLECULAR FORMULA: C8H10IN3O3S
MOLECULAR WEIGHT: 355.15277
SMILES: C1[C@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)I
Structure:
CAS RN: 149819-53-4
CAS Name: 4-amino-5-bromo-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone
OPENEYE Name: 4-amino-5-bromo-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
IUPAC Name: 4-amino-5-bromo-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-bromanyl-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
MOLECULAR FORMULA: C8H10BrN3O3S
MOLECULAR WEIGHT: 308.1523
SMILES: C1[C@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)Br
Structure:
CAS RN: 149819-52-3
CAS Name: 4-amino-5-chloro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone
OPENEYE Name: 4-amino-5-chloro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
IUPAC Name: 4-amino-5-chloro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
MOLECULAR FORMULA: C8H10ClN3O3S
MOLECULAR WEIGHT: 263.7013
SMILES: C1[C@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)Cl
Structure:
CAS RN: 80755-86-8
CAS Name: 2-[[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[5-amino-2-[(2-amino-1-oxoethyl)amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxop
OPENEYE Name: 2-[[2-[[2-[2-[[5-amino-2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ace
IUPAC Name: 2-[[2-[[2-[2-[[5-amino-2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl
SYSTEMATIC NAME: 2-[[2-[2-[2-[[5-azanyl-2-[[6-azanyl-2-[2-[2-[2-[[2-[[2-[[2-[[5-azanyl-2-[[5-azanyl-2-(2-azanylethanoylamino)-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-meth
MOLECULAR FORMULA: C62H99N23O21
MOLECULAR WEIGHT: 1502.59096
SMILES: CC(C)CC(C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)CN
Structure:
CAS RN: 76822-34-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22BrNO5
MOLECULAR WEIGHT: 400.26428
SMILES: CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@@](CO)(C4=CC=CC=C4)O.Br
Structure:
CAS RN: 76932-56-4
CAS Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]am
OPENEYE Name: N-[2-[[2-[[2-[[2-[[2-[[1-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl
IUPAC Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hy
SYSTEMATIC NAME: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]
MOLECULAR FORMULA: C66H83N17O13
MOLECULAR WEIGHT: 1322.47132
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
Structure:
CAS RN: 6918-10-1
CAS Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]am
OPENEYE Name: N-[2-[[2-[[2-[[2-[[2-[[1-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl
IUPAC Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hy
SYSTEMATIC NAME: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]
MOLECULAR FORMULA: C66H83N17O13
MOLECULAR WEIGHT: 1322.47132
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
Structure:
CAS RN: 74050-92-3
CAS Name: N2,N6-bis[amino-[(Z)-[amino(anilino)methylidene]amino]methylidene]-1-[(E)-amino-[amino(phenylimino)methyl]iminomethyl]-4-[(E)-amino-[amino(phenylimino)methyl]iminomethyl]iminopyridine-2,6-dicarboxamide
OPENEYE Name: N2,N6-bis[amino-[(Z)-[amino(anilino)methylene]amino]methylene]-1-[(E)-N'-(N'-phenylcarbamimidoyl)carbamimidoyl]-4-[(E)-N'-(N'-phenylcarbamimidoyl)carbamimidoyl]imino-pyridine-2,6-dicarboxamide
IUPAC Name: 2-N,6-N-bis[amino-[(Z)-[amino(anilino)methylidene]amino]methylidene]-1-[(E)-N'-(N'-phenylcarbamimidoyl)carbamimidoyl]-4-[(E)-N'-(N'-phenylcarbamimidoyl)carbamimidoyl]iminopyridine-2,6-dicarboxamide
SYSTEMATIC NAME: N2,N6-bis[azanyl-[(Z)-[azanyl(phenylazanyl)methylidene]amino]methylidene]-1-[(E)-N'-(N'-phenylcarbamimidoyl)carbamimidoyl]-4-[(E)-N'-(N'-phenylcarbamimidoyl)carbamimidoyl]imino-pyridine-2,6-dicarboxamide
MOLECULAR FORMULA: C39H40N20O2
MOLECULAR WEIGHT: 820.8677
SMILES: C1=CC=C(C=C1)N/C(=N\C(=NC(=O)C2=CC(=N/C(=N/C(=NC3=CC=CC=C3)N)/N)C=C(N2/C(=N/C(=NC4=CC=CC=C4)N)/N)C(=O)N=C(/N=C(\NC5=CC=CC=C5)/N)N)N)/N
Structure:
CAS RN: 75645-19-1
CAS Name: 6-amino-2-[[3-(4-hydroxyphenyl)-2-[[2-[[2-[[2-[[3-(1H-imidazol-5-yl)-2-[[2-[[[1-[3-(1H-imidazol-5-yl)-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]am
OPENEYE Name: 6-amino-2-[[3-(4-hydroxyphenyl)-2-[[2-[[2-[[2-[[3-(1H-imidazol-5-yl)-2-[[2-[[1-[3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propan
IUPAC Name: 6-amino-2-[[3-(4-hydroxyphenyl)-2-[[2-[[2-[[2-[[3-(1H-imidazol-5-yl)-2-[[2-[[1-[3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl
SYSTEMATIC NAME: 6-azanyl-2-[[3-(4-hydroxyphenyl)-2-[[2-[[2-[[2-[[3-(1H-imidazol-5-yl)-2-[[2-[[1-[3-(1H-imidazol-5-yl)-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-pro
MOLECULAR FORMULA: C69H87N15O12
MOLECULAR WEIGHT: 1318.52238
SMILES: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CN=CN4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCCN6C(=O)C(CC7=CN=CN7)NC(=O)C8CCCN8
Structure:
CAS RN: 114451-31-9
CAS Name: (2E,4E,6E)-7-[(2R,3R)-5-[(2S,4E,6E)-8-[[2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-3-(1-oxo-2-phenylethoxy)-6-[(1E,3Z)-penta-1,3-dienyl]-2-oxanyl]-3-[[(2S,4R,6R)-5-[[(2S,4S,5R,6R)-5-[[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-m
OPENEYE Name: (2E,4E,6E)-7-[(2R,3R)-5-[(1S,3E,5E)-7-[[2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxy-tetrahydropyran-2-yl]-3-[(2S,4R,6R)-5-[(2S,4S,5R,6R)-5-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]
IUPAC Name: (2E,4E,6E)-7-[(2R,3R)-5-[(2S,4E,6E)-8-[[2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2S,4R,6R)-5-[(2S,4S,5R,6R)-5-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methylox
SYSTEMATIC NAME: (2E,4E,6E)-7-[(2R,3R)-5-[(2S,4E,6E)-8-[[2-[(2R,3R,4R,6S)-5,5-dimethyl-2,4-bis(oxidanyl)-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylethanoyloxy)oxan-2-yl]-3-[(2S,4R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2
MOLECULAR FORMULA: C65H95NO21
MOLECULAR WEIGHT: 1226.4439
SMILES: C/C=C\C=C\[C@H]1C([C@H]([C@H]([C@](O1)(C(CO[C@@H]2C[C@H](C([C@H](O2)C)O[C@H]3C[C@@H]([C@@H]([C@H](O3)C)O[C@@H]4C[C@H]([C@H]([C@H](O4)C)O)OC)OC)OC)C(=O)NC/C=C/C=C(\C)/C([C@@H](C)C5C[C@H]([C@H](O5)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)CC6=CC=CC=C6)O)(C)C
Structure:
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