CAS RN: 1331-14-2
CAS Name: N,N-dichloro-4-nitroaniline
OPENEYE Name: N,N-dichloro-4-nitro-aniline
IUPAC Name: N,N-dichloro-4-nitroaniline
SYSTEMATIC NAME: N,N-bis(chloranyl)-4-nitro-aniline
MOLECULAR FORMULA: C6H4Cl2N2O2
MOLECULAR WEIGHT: 207.01416
SMILES: C1=CC(=CC=C1N(Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 903-44-6
CAS Name: 2-(5-fluoro-12-methyl-7-benzo[a]anthracenyl)acetic acid
OPENEYE Name: 2-(5-fluoro-12-methyl-benzo[a]anthracen-7-yl)acetic acid
IUPAC Name: 2-(5-fluoro-12-methylbenzo[a]anthracen-7-yl)acetic acid
SYSTEMATIC NAME: 2-(5-fluoranyl-12-methyl-benzo[a]anthracen-7-yl)ethanoic acid
MOLECULAR FORMULA: C21H15FO2
MOLECULAR WEIGHT: 318.341003
SMILES: CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CC(=O)O)F
Structure:
CAS RN: 107888-46-0
CAS Name: 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
OPENEYE Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
IUPAC Name: 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
SYSTEMATIC NAME: 7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
MOLECULAR FORMULA: C15H17N5O5S2
MOLECULAR WEIGHT: 411.45598
SMILES: C/C=C/C1(CN2C(C(C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O
Structure:
CAS RN: 104015-85-2
CAS Name: 3,4-dimethoxy-N-methylbenzamide; iodomethane
OPENEYE Name: 3,4-dimethoxy-N-methyl-benzamide; iodomethane
IUPAC Name: 3,4-dimethoxy-N-methylbenzamide; iodomethane
SYSTEMATIC NAME: 3,4-dimethoxy-N-methyl-benzamide; iodanylmethane
MOLECULAR FORMULA: C11H16INO3
MOLECULAR WEIGHT: 337.15411
SMILES: CNC(=O)C1=CC(=C(C=C1)OC)OC.CI
Structure:
CAS RN: 102584-70-3
CAS Name: 2-cyclohexylacetate; 1-ethyl-1-(phenylmethyl)-3-pyrrolidin-1-iumol; iodide
OPENEYE Name: 1-benzyl-1-ethyl-pyrrolidin-1-ium-3-ol; 2-cyclohexylacetate; iodide
IUPAC Name: 1-benzyl-1-ethylpyrrolidin-1-ium-3-ol; 2-cyclohexylacetate; iodide
SYSTEMATIC NAME: 2-cyclohexylethanoate; 1-ethyl-1-(phenylmethyl)pyrrolidin-1-ium-3-ol; iodide
MOLECULAR FORMULA: C21H33INO3-
MOLECULAR WEIGHT: 474.39609
SMILES: CC[N+]1(CCC(C1)O)CC2=CC=CC=C2.C1CCC(CC1)CC(=O)[O-].[I-]
Structure:
CAS RN: 102584-61-2
CAS Name: 1,1-bis(phenylmethyl)-3-pyrrolidin-1-iumol; 2-cyclohexylacetate; bromide
OPENEYE Name: 2-cyclohexylacetate; 1,1-dibenzylpyrrolidin-1-ium-3-ol; bromide
IUPAC Name: 2-cyclohexylacetate; 1,1-dibenzylpyrrolidin-1-ium-3-ol; bromide
SYSTEMATIC NAME: 1,1-bis(phenylmethyl)pyrrolidin-1-ium-3-ol; 2-cyclohexylethanoate; bromide
MOLECULAR FORMULA: C26H35BrNO3-
MOLECULAR WEIGHT: 489.465
SMILES: C1CCC(CC1)CC(=O)[O-].C1C[N+](CC1O)(CC2=CC=CC=C2)CC3=CC=CC=C3.[Br-]
Structure:
CAS RN: 102206-94-0
CAS Name: 1-(ethylthio)-6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
OPENEYE Name: 1-ethylsulfanyl-6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
IUPAC Name: 1-ethylsulfanyl-6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 1-ethylsulfanyl-6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C14H16N2OS
MOLECULAR WEIGHT: 260.35464
SMILES: CCSC1=NCCC2=C1NC3=C2C=C(C=C3)OC
Structure:
CAS RN: 100338-39-4
CAS Name: dodecoxymethyl-dimethyl-(phenylmethyl)ammonium chloride
OPENEYE Name: benzyl-(dodecoxymethyl)-dimethyl-ammonium chloride
IUPAC Name: benzyl-(dodecoxymethyl)-dimethylazanium chloride
SYSTEMATIC NAME: dodecoxymethyl-dimethyl-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C22H40ClNO
MOLECULAR WEIGHT: 370.0121
SMILES: CCCCCCCCCCCCOC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 55207-84-6
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[[(2S)-1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopenty
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidin
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]pyrrol
MOLECULAR FORMULA: C81H127N19O21S
MOLECULAR WEIGHT: 1735.05478
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H]([C
Structure:
CAS RN: 75296-16-1
CAS Name: 4-[[[[3',6'-bis[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl]amino]-sulfanylidenemethyl]amino]benzoic acid
OPENEYE Name: 4-[[3',6'-bis[(4-guanidinobenzoyl)oxy]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl]carbamothioylamino]benzoic acid
IUPAC Name: 4-[[3',6'-bis[[4-(diaminomethylideneamino)benzoyl]oxy]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl]carbamothioylamino]benzoic acid
SYSTEMATIC NAME: 4-[[3',6'-bis[[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]carbamothioylamino]benzoic acid
MOLECULAR FORMULA: C44H32N8O9S
MOLECULAR WEIGHT: 848.83808
SMILES: C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)OC(=O)C6=CC=C(C=C6)N=C(N)N)OC7=C4C=CC(=C7)OC(=O)C8=CC=C(C=C8)N=C(N)N)OC3=O
Structure:
CAS RN: 149155-45-3
CAS Name: (4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminom
OPENEYE Name: (4S)-5-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-4-guanidino-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]car
IUPAC Name: (4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylide
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-5-[bis(azanyl)me
MOLECULAR FORMULA: C73H129N29O19
MOLECULAR WEIGHT: 1716.98826
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C
Structure:
CAS RN: 104969-72-4
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxopropyl]amino]-1-oxob
OPENEYE Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-o
IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-o
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-ox
MOLECULAR FORMULA: C76H119N21O21
MOLECULAR WEIGHT: 1662.88616
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(C)C
Structure:
CAS RN: 100442-96-4
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[[(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbon
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[2-[2-[[(2S)-6-azanyl-2-[[(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-13-(phenylmethyl)-1,2-d
MOLECULAR FORMULA: C60H91N19O16S2
MOLECULAR WEIGHT: 1398.61224
SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 97850-15-2
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopen
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(4H-imid
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(aza
MOLECULAR FORMULA: C64H78N20O13
MOLECULAR WEIGHT: 1335.43032
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC5C=NC=N5)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8C=NC=N8)NC(=O)[C@@H]9CCC(=O)N9)C(=O)NCC(=O)N
Structure:
CAS RN: 78255-70-6
CAS Name: (2R)-N-[(2R)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(1-naphthalenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(1-naphthalenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]ami
OPENEYE Name: (2R)-N-[(1R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(1-naphthyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(1-naphthyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentan
IUPAC Name: (2R)-N-[(2R)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminometh
SYSTEMATIC NAME: (2R)-N-[(2R)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-naphthalen-1-yl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl-[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-naphthalen-1-yl-pro
MOLECULAR FORMULA: C71H86N14O13
MOLECULAR WEIGHT: 1343.52854
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H]3CCC(=O)N3)C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CC=CC6=CC=CC=C65)N)NC(=O)[C@@H](CC7=CC=CC8=CC=CC=C87)N
Structure:
CAS RN: 135484-50-3
CAS Name: 1-[[19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-10-[(4-methoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-13-(phenylmethyl)-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosan-22-yl]-oxomethyl]-N-[1-[(2-amino-2-oxoethyl)-[4-[[1-oxo-6-[[1-oxo-5-(2-oxo-1
OPENEYE Name: 1-[19-(2-amino-2-oxo-ethyl)-16-(3-amino-3-oxo-propyl)-13-benzyl-10-[(4-methoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)-[4-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydroth
IUPAC Name: 1-[19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-13-benzyl-10-[(4-methoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]-N-[1-[(2-amino-2-oxoethyl)-[4-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothien
SYSTEMATIC NAME: 1-[[19-(2-azanyl-2-oxidanylidene-ethyl)-16-(3-azanyl-3-oxidanylidene-propyl)-10-[(4-methoxyphenyl)methyl]-8,11,14,17,20-pentakis(oxidanylidene)-13-(phenylmethyl)-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosan-22-yl]carbonyl]-N-[1-[(2-azanyl-2-oxi
MOLECULAR FORMULA: C72H108N18O15S3
MOLECULAR WEIGHT: 1561.93452
SMILES: COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)N(CCCCNC(=O)CCCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)CC(=O)N)CC(=O)N)CCC(=O)N)CC7=CC=CC=C7
Structure:
CAS RN: 135048-75-8
CAS Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S
OPENEYE Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-3-carboxy-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-(carb
IUPAC Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(carboxy
SYSTEMATIC NAME: (4S)-4-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]
MOLECULAR FORMULA: C79H125N19O23S
MOLECULAR WEIGHT: 1741.0163
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3
Structure:
CAS RN: 114376-16-8
CAS Name: (2S)-1-[(2S)-2-acetamido-3-(1-formyl-3-indolyl)-1-oxopropyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amin
OPENEYE Name: (2S)-1-[(2S)-2-acetamido-3-(1-formylindol-3-yl)propanoyl]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-benzyl-2-oxo-ethyl]amino]methyl]-2-phenyl-ethyl]amino]-1-(1
IUPAC Name: (2S)-1-[(2S)-2-acetamido-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]-
SYSTEMATIC NAME: (2S)-1-[(2S)-2-acetamido-3-(1-methanoylindol-3-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-
MOLECULAR FORMULA: C66H76N12O10
MOLECULAR WEIGHT: 1197.38404
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CN(C8=CC=CC=C87)C=O)NC(=O)C
Structure:
CAS RN: 109064-94-0
CAS Name: 7-(2-amino-2-oxoethyl)-N-[1-[[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-[[(4-azidophenyl)-oxomethyl]amino]-1-oxohexan-2-yl]-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmet
OPENEYE Name: 7-(2-amino-2-oxo-ethyl)-N-[1-[[1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]-5-[(4-azidobenzoyl)amino]pentyl]-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos
IUPAC Name: 7-(2-amino-2-oxoethyl)-N-[1-[[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-[(4-azidobenzoyl)amino]-1-oxohexan-2-yl]-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8
SYSTEMATIC NAME: 7-(2-azanyl-2-oxidanylidene-ethyl)-N-[1-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-6-[(4-azidophenyl)carbonylamino]-1-oxidanylidene-hexan-2-yl]-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4
MOLECULAR FORMULA: C54H72N18O13S2
MOLECULAR WEIGHT: 1245.39228
SMILES: C1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CCC(=O)N)CC(=O)N)C(=O)NC(CCCCNC(=O)C4=CC=C(C=C4)N=[N+]=[N-])C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
Structure:
CAS RN: 106939-01-9
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-4-carboxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-5-(di
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]propanoyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-penta
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethyliden
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]propanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pen
MOLECULAR FORMULA: C64H104N18O22S
MOLECULAR WEIGHT: 1509.68296
SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CS)N
Structure:
CAS RN: 105869-12-3
CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2R)-1-[(2S)-2-amino-3-carboxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-in
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-amino-3-carboxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propa
IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoy
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propa
MOLECULAR FORMULA: C67H86N14O15
MOLECULAR WEIGHT: 1327.48454
SMILES: CCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H]7CCCN7C(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 73303-58-9
CAS Name: 3-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-4-[[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-[[(2S)-2-[[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-10-(3-amino-3-oxoprop
OPENEYE Name: 3-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-[[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxo-ethyl)-4-[(2S)-2-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidine-1-carbonyl]-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)
IUPAC Name: 3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-[[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-10-(3-amino-3-oxopropyl)-13-benzyl-16
SYSTEMATIC NAME: 3-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-[[(4R,7S,10S,13S,16S,19R)-7-(2-azanyl-2-oxidanylidene-ethyl)-4-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]carb
MOLECULAR FORMULA: C55H79N17O16S2
MOLECULAR WEIGHT: 1298.45006
SMILES: CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CCC(=O)N)CC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)N
Structure:
CAS RN: 3660-62-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CO[C@@H]1C[C@@H]2[C@]3(C=C1)[C@H](CN2CC4=C(C5=C(C=C34)OCO5)OC)O
Structure:
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