CAS RN: 123442-25-1
CAS Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-1-benzopyran-3-yl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-chromen-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C24H24O12
MOLECULAR WEIGHT: 504.44016
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O
Structure:
CAS RN: 123354-90-5
CAS Name: (6E)-6-[(2-pyridinylhydrazo)methylidene]-1-cyclohexa-2,4-dienethione
OPENEYE Name: (6E)-6-[[2-(2-pyridyl)hydrazino]methylene]cyclohexa-2,4-diene-1-thione
IUPAC Name: (6E)-6-[(2-pyridin-2-ylhydrazinyl)methylidene]cyclohexa-2,4-diene-1-thione
SYSTEMATIC NAME: (6E)-6-[(2-pyridin-2-ylhydrazinyl)methylidene]cyclohexa-2,4-diene-1-thione
MOLECULAR FORMULA: C12H11N3S
MOLECULAR WEIGHT: 229.30084
SMILES: C1=CC=NC(=C1)NN/C=C/2\C=CC=CC2=S
Structure:
CAS RN: 123285-45-0
CAS Name: 4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[oxo-[(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]-2-pyrrolidinyl]methyl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid methyl ester
OPENEYE Name: methyl 4-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-oxo-2-[[(2S)-1-[(1S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]pyrrolidine-2-carbonyl]amino]ethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoate
IUPAC Name: methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoate
SYSTEMATIC NAME: methyl 4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-[(3S)-1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]pyrrolidin-2-yl]carbonylamino]propan-2-yl]amino]propan-2-yl]amino]butanoate
MOLECULAR FORMULA: C22H33F3N4O7
MOLECULAR WEIGHT: 522.51523
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C(C)C)C(=O)C(F)(F)F)NC(=O)CCC(=O)OC
Structure:
CAS RN: 107740-46-5
CAS Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)-3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O16
MOLECULAR WEIGHT: 624.54408
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Structure:
CAS RN: 107646-82-2
CAS Name: 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c][2]benzopyran-1-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
IUPAC Name: ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
SYSTEMATIC NAME: ethyl 7,8,9-tris(oxidanyl)-3,5-bis(oxidanylidene)-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
MOLECULAR FORMULA: C15H12O8
MOLECULAR WEIGHT: 320.25098
SMILES: CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O
Structure:
CAS RN: 123001-63-8
CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-carboxy-1-o
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]amino]
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-(
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanyl-5-oxidanyl
MOLECULAR FORMULA: C64H103N17O21
MOLECULAR WEIGHT: 1446.60392
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)N
Structure:
CAS RN: 70393-86-1
CAS Name: 7-hydroxy-1,6-dimethoxy-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 7-hydroxy-1,6-dimethoxy-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 7-hydroxy-1,6-dimethoxy-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1,6-dimethoxy-7-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C12H11NO6
MOLECULAR WEIGHT: 265.21884
SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CN2OC)C(=O)O)O
Structure:
CAS RN: 122890-43-1
CAS Name: 8-methoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
OPENEYE Name: 8-methoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
IUPAC Name: 8-methoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
SYSTEMATIC NAME: 8-methoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: CC1=C2C(=C3C=C(C(=O)C=C3C2=O)OC)NC=C1
Structure:
CAS RN: 133661-95-7
CAS Name: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-hydroxyacetamide
OPENEYE Name: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-hydroxy-acetamide
IUPAC Name: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-hydroxyacetamide
SYSTEMATIC NAME: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-oxidanyl-ethanamide
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: C/C(=N\NC(=O)CO)/C1=CC=CC=C1Cl
Structure:
CAS RN: 122364-83-4
CAS Name: (2E,4S)-2-(6-oxo-2-quinolinylidene)-4-thiazolidinecarboxylic acid
OPENEYE Name: (2E,4S)-2-(6-oxo-2-quinolylidene)thiazolidine-4-carboxylic acid
IUPAC Name: (2E,4S)-2-(6-oxoquinolin-2-ylidene)-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: (2E,4S)-2-(6-oxidanylidenequinolin-2-ylidene)-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C13H10N2O3S
MOLECULAR WEIGHT: 274.2951
SMILES: C1[C@@H](N/C(=C\2/C=CC3=CC(=O)C=CC3=N2)/S1)C(=O)O
Structure:
CAS RN: 122280-58-4
CAS Name: 5-[3-methyl-3-(methylthio)-2-oxo-1H-indol-5-yl]-3,6-dihydro-1,3,4-thiadiazin-2-one
OPENEYE Name: 5-(3-methyl-3-methylsulfanyl-2-oxo-indolin-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
IUPAC Name: 5-(3-methyl-3-methylsulfanyl-2-oxo-1H-indol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
SYSTEMATIC NAME: 5-(3-methyl-3-methylsulfanyl-2-oxidanylidene-1H-indol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
MOLECULAR FORMULA: C13H13N3O2S2
MOLECULAR WEIGHT: 307.39122
SMILES: CC1(C2=C(C=CC(=C2)C3=NNC(=O)SC3)NC1=O)SC
Structure:
CAS RN: 70021-31-7
CAS Name: (2S)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-1-hydroxy-4-methylsulfinylbutan-2-yl]-methylamino]-1-oxo-3-phenylpropyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-2-(methylamino)propanamide
OPENEYE Name: (2S)-N-[(1R)-2-[[2-[[(2S)-2-[[(1S)-1-(hydroxymethyl)-3-methylsulfinyl-propyl]-methyl-amino]-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)-2-(methylamino)propanamide
IUPAC Name: (2S)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-1-hydroxy-4-methylsulfinylbutan-2-yl]-methylamino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-3-(4-hydroxyphenyl)-2-(methylamino)-N-[(2R)-1-[[2-[[(2S)-2-[methyl-[(2S)-4-methylsulfinyl-1-oxidanyl-butan-2-yl]amino]-3-phenyl-propanoyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]propanamide
MOLECULAR FORMULA: C30H43N5O7S
MOLECULAR WEIGHT: 617.75672
SMILES: C[C@H](C(=O)NCC(=O)NC(=O)[C@H](CC1=CC=CC=C1)N(C)[C@@H](CCS(=O)C)CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC
Structure:
CAS RN: 69924-15-8
CAS Name: acetic acid [4-[(2S)-2-amino-3-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-2-(methylamino)-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl] ester
OPENEYE Name: [4-[(2S)-2-amino-3-[[(1R)-2-[[2-[[(1S)-1-benzyl-2-[[(2S)-2-(methylamino)-4-methylsulfanyl-butanoyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-oxo-propyl]phenyl] acetate
IUPAC Name: [4-[(2S)-2-amino-3-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl] acetate
SYSTEMATIC NAME: [4-[(2S)-2-azanyl-3-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-2-(methylamino)-4-methylsulfanyl-butanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] ethanoate
MOLECULAR FORMULA: C31H42N6O7S
MOLECULAR WEIGHT: 642.76618
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@H](CCSC)NC)NC(=O)[C@H](CC2=CC=C(C=C2)OC(=O)C)N
Structure:
CAS RN: 68981-32-8
CAS Name: N-[3-[[(1E)-1-(5-acetyl-6-hydroxy-2,4-dioxo-3-pyranylidene)ethyl]amino]-5-[(2,3-dihydroxy-1-oxopropyl)amino]phenyl]-2,3-dihydroxypropanamide
OPENEYE Name: N-[3-[[(1E)-1-(5-acetyl-6-hydroxy-2,4-dioxo-pyran-3-ylidene)ethyl]amino]-5-(2,3-dihydroxypropanoylamino)phenyl]-2,3-dihydroxy-propanamide
IUPAC Name: N-[3-[[(1E)-1-(5-acetyl-6-hydroxy-2,4-dioxopyran-3-ylidene)ethyl]amino]-5-(2,3-dihydroxypropanoylamino)phenyl]-2,3-dihydroxypropanamide
SYSTEMATIC NAME: N-[3-[2,3-bis(oxidanyl)propanoylamino]-5-[[(1E)-1-[5-ethanoyl-6-oxidanyl-2,4-bis(oxidanylidene)pyran-3-ylidene]ethyl]amino]phenyl]-2,3-bis(oxidanyl)propanamide
MOLECULAR FORMULA: C21H23N3O11
MOLECULAR WEIGHT: 493.42082
SMILES: CC(=O)C1=C(OC(=O)/C(=C(\C)/NC2=CC(=CC(=C2)NC(=O)C(CO)O)NC(=O)C(CO)O)/C1=O)O
Structure:
CAS RN: 122088-76-0
CAS Name: (2S)-N-[(2S)-2-amino-3-cyclohexyl-1-oxopropyl]-2-(butylamino)-N-[(2S)-2-[[(2R)-2-(tert-butylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-methylbutanamide; methanesulfonic acid
OPENEYE Name: (2S)-N-[(2S)-2-amino-3-cyclohexyl-propanoyl]-N-[(2S)-2-[[(2R)-2-benzyl-3-tert-butylsulfonyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(butylamino)-3-methyl-butanamide; methanesulfonic acid
IUPAC Name: (2S)-N-[(2S)-2-amino-3-cyclohexylpropanoyl]-N-[(2S)-2-[[(2R)-2-benzyl-3-tert-butylsulfonylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(butylamino)-3-methylbutanamide; methanesulfonic acid
SYSTEMATIC NAME: (2S)-N-[(2S)-2-azanyl-3-cyclohexyl-propanoyl]-2-(butylamino)-N-[(2S)-2-[[(2R)-2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-methyl-butanamide; methanesulfonic acid
MOLECULAR FORMULA: C39H64N6O9S2
MOLECULAR WEIGHT: 825.09026
SMILES: CCCCN[C@@H](C(C)C)C(=O)N(C(=O)[C@H](CC1CCCCC1)N)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CC3=CC=CC=C3)CS(=O)(=O)C(C)(C)C.CS(=O)(=O)O
Structure:
CAS RN: 122060-70-2
CAS Name: phosphoric acid [(2R,3S,4R,5R)-5-(5-azido-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono [(2R,3S,4S,5R)-1,3,4,5-tetrahydroxy-6-oxohexan-2-yl] ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(5-azido-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono [(1R,2S,3S,4R)-2,3,4-trihydroxy-1-(hydroxymethyl)-5-oxo-pentyl] phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(5-azido-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono [(2R,3S,4S,5R)-1,3,4,5-tetrahydroxy-6-oxohexan-2-yl] phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-[5-azido-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono [(2R,3S,4S,5R)-1,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-2-yl] phosphate
MOLECULAR FORMULA: C15H23N5O17P2
MOLECULAR WEIGHT: 607.313942
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O[C@H](CO)[C@H]([C@@H]([C@H](C=O)O)O)O)OP(=O)(O)O)O)O)N=[N+]=[N-]
Structure:
CAS RN: 106199-79-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18INO3
MOLECULAR WEIGHT: 409.234344
SMILES: CN1CCC23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3[C@H](C=C4)O)O)[125I]
Structure:
CAS RN: 122001-05-2
CAS Name: (2S)-N-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-(ethylamino)-
OPENEYE Name: (2S)-N-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(ethylamino)-4-methyl-pentanamid
IUPAC Name: (2S)-N-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(ethylamino)-4-methylpentanamide
SYSTEMATIC NAME: (2S)-N-[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]-2-(ethylamino)-4-methyl-pentanamid
MOLECULAR FORMULA: C43H61N13O8
MOLECULAR WEIGHT: 888.02674
SMILES: CCN[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)C
Structure:
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