CAS RN: 81525-61-3
CAS Name: 6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-7-pyrano[2,3-c]acridinone
OPENEYE Name: 6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one
IUPAC Name: 6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
SYSTEMATIC NAME: 11-methoxy-3,3,12-trimethyl-6,10-bis(oxidanyl)pyrano[2,3-c]acridin-7-one
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C(=C(C=C4)O)OC)C
Structure:
CAS RN: 81381-56-8
CAS Name: 2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-azidophenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-azidophenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
IUPAC Name: 2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-azidophenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-azidophenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C16H21N7O5
MOLECULAR WEIGHT: 391.38184
SMILES: C[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)N=[N+]=[N-])N
Structure:
CAS RN: 81286-16-0
CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]-2-pyrrolidin
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]ami
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butano
MOLECULAR FORMULA: C49H81N17O19S
MOLECULAR WEIGHT: 1244.33494
SMILES: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)N
Structure:
CAS RN: 81134-56-7
CAS Name: (2S)-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentyl]-2-formamidohexanamide
OPENEYE Name: (2S)-N-[(2S)-2-[[(1S)-1-benzyl-3-chloro-2-oxo-propyl]amino]-4-methyl-pentanoyl]-2-formamido-hexanamide
IUPAC Name: (2S)-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-4-methylpentanoyl]-2-formamidohexanamide
SYSTEMATIC NAME: (2S)-N-[(2S)-2-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-pentanoyl]-2-formamido-hexanamide
MOLECULAR FORMULA: C23H34ClN3O4
MOLECULAR WEIGHT: 451.98676
SMILES: CCCC[C@@H](C(=O)NC(=O)[C@H](CC(C)C)N[C@@H](CC1=CC=CC=C1)C(=O)CCl)NC=O
Structure:
CAS RN: 81117-26-2
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobuty
OPENEYE Name: (2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentan
IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-m
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butano
MOLECULAR FORMULA: C39H72N16O12
MOLECULAR WEIGHT: 957.08898
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 80976-69-8
CAS Name: (2R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-[[(2R,4S)-5,5-dimethyl-2-[[(1-oxo-2-phenylethyl)amino]methyl]-4-thiazolidinyl]-oxomethoxy]-1-oxopropyl]amino]
OPENEYE Name: (2R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2R,4S)-5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]thiazolidine-4-carbonyl]oxy-propanoyl]amino]-4-oxo-butanoyl]amin
IUPAC Name: (2R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2R,4S)-5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carbonyl]oxypropanoyl]amino]-4-oxobutanoyl]am
SYSTEMATIC NAME: (2R)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-[[(2R,4S)-5,5-dimethyl-2-[(2-phenylethanoylamino)methyl]-1,3-thiazolidin-4-yl]carbonyloxy]propanoyl]amino]-4-oxidanyl
MOLECULAR FORMULA: C43H66N10O12S
MOLECULAR WEIGHT: 947.10894
SMILES: C[C@@H](C(=O)N[C@@H](COC(=O)[C@H]1C(S[C@@H](N1)CNC(=O)CC2=CC=CC=C2)(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N
Structure:
CAS RN: 80860-78-2
CAS Name: (2S)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]amino]-4-(methylthio)butanoic acid
OPENEYE Name: (2S)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]amino]-4-methylsulfanyl-butanoic acid
IUPAC Name: (2S)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]amino]-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]amino]-4-methylsulfanyl-butanoic acid
MOLECULAR FORMULA: C11H21NO7S
MOLECULAR WEIGHT: 311.35194
SMILES: CSCC[C@@H](C(=O)O)NC1([C@H]([C@@H]([C@H](O1)CO)O)O)CO
Structure:
CAS RN: 80832-46-8
CAS Name: 4-[[5-(4-chlorophenyl)-3-(propan-2-ylamino)-10H-phenazin-2-yl]imino]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[[5-(4-chlorophenyl)-3-(isopropylamino)-10H-phenazin-2-yl]imino]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[[5-(4-chlorophenyl)-3-(propan-2-ylamino)-10H-phenazin-2-yl]imino]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[5-(4-chlorophenyl)-3-(propan-2-ylamino)-10H-phenazin-2-yl]imino]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C27H23ClN4O
MOLECULAR WEIGHT: 454.95072
SMILES: CC(C)NC1=CC2=C(C=C1N=C3C=CC(=O)C=C3)NC4=CC=CC=C4N2C5=CC=C(C=C5)Cl
Structure:
CAS RN: 80168-44-1
CAS Name: 2,6-dichloro-N-[(Z)-[1-(5-chloro-2-thiophenyl)-2-(1-imidazolyl)ethylidene]amino]aniline hydrochloride
OPENEYE Name: 2,6-dichloro-N-[(Z)-[1-(5-chloro-2-thienyl)-2-imidazol-1-yl-ethylidene]amino]aniline hydrochloride
IUPAC Name: 2,6-dichloro-N-[(Z)-[1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethylidene]amino]aniline hydrochloride
SYSTEMATIC NAME: 2,6-bis(chloranyl)-N-[(Z)-[1-(5-chloranylthiophen-2-yl)-2-imidazol-1-yl-ethylidene]amino]aniline hydrochloride
MOLECULAR FORMULA: C15H12Cl4N4S
MOLECULAR WEIGHT: 422.15958
SMILES: C1=CC(=C(C(=C1)Cl)N/N=C(/CN2C=CN=C2)\C3=CC=C(S3)Cl)Cl.Cl
Structure:
CAS RN: 79561-42-5
CAS Name: acetic acid; (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-2-amino-3-(4-fluorophenyl)-1-oxopropyl]-[(2S)-2-amino-1-oxo-2-phenylethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: acetic acid; (2S)-2-amino-N-[(1R)-2-[[2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-[(2S)-2-amino-2-phenyl-acetyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide
IUPAC Name: acetic acid; (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-[(2S)-2-amino-2-phenylacetyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2R)-1-[[2-[[(2S)-2-azanyl-3-(4-fluorophenyl)propanoyl]-[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide; ethanoic acid
MOLECULAR FORMULA: C33H39FN6O8
MOLECULAR WEIGHT: 666.696563
SMILES: C[C@H](C(=O)NCC(=O)N(C(=O)[C@H](CC1=CC=C(C=C1)F)N)C(=O)[C@H](C2=CC=CC=C2)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N.CC(=O)O
Structure:
CAS RN: 79390-81-1
CAS Name: (2S)-2-[[(2S)-1-oxo-2,6-bis[[1-oxo-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]propyl]amino]hexyl]amino]-6-[[1-oxo-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]propyl]amino]hexanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2,6-bis[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanylpropanoylamino]hexanoyl]amino]-6-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanylpropanoylamino]hexanoic acid
IUPAC Name: (2S)-2-[[(2S)-2,6-bis[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]hexanoyl]amino]-6-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2,6-bis[3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylpropanoylamino]hexanoyl]amino]-6-[3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylpropanoylamino]hexanoic acid
MOLECULAR FORMULA: C39H68N4O21S3
MOLECULAR WEIGHT: 1025.16642
SMILES: C(CCNC(=O)CCS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)CCS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)NC(=O)CCS[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 79114-72-0
CAS Name: (Z)-1-diazonio-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinylidene)-1-propen-2-olate
OPENEYE Name: (Z)-1-diazonio-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidylidene)prop-1-en-2-olate
IUPAC Name: (Z)-1-diazonio-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-ylidene)prop-1-en-2-olate
SYSTEMATIC NAME: (Z)-1-diazonio-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-ylidene)prop-1-en-2-olate
MOLECULAR FORMULA: C12H18N3O2
MOLECULAR WEIGHT: 236.29022
SMILES: CC1(CC(=C/C(=C/[N+]#N)/[O-])CC(N1[O])(C)C)C
Structure:
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