6-azanyl-2-[[3-(1H-indol-3-yl)-2-[[5-oxidanyl-5-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-[[2-[[5-oxidanyl-5-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[3-(1H-indol-3-yl)-2-[[5-oxidanyl-5-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-[[2-[[5-oxidanyl-5-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[5-hydroxy-2-[[5-hydroxy-2-[[2-[[5-hydroxy-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[5-hydroxy-2-[[5-hydroxy-2-[[2-[[5-hydroxy-1,5-dioxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[5-hydroxy-2-[[5-hydroxy-2-[[2-[[5-hydroxy-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[5-hydroxy-2-[[5-hydroxy-2-[[2-[[5-hydroxy-5-keto-2-(prolylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-keto-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Formula: C46H61N9O14 MolecularWeight: 964.02844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C46H61N9O14/c47-21-7-6-13-34(46(68)69)53-45(67)36(24-27-25-49-29-12-5-4-11-28(27)29)55-43(65)33(17-20-39(60)61)51-41(63)31(15-18-37(56)57)52-44(66)35(23-26-9-2-1-3-10-26)54-42(64)32(16-19-38(58)59)50-40(62)30-14-8-22-48-30/h1-5,9-12,25,30-36,48-49H,6-8,13-24,47H2,(H,50,62)(H,51,63)(H,52,66)(H,53,67)(H,54,64)(H,55,65)(H,56,57)(H,58,59)(H,60,61)(H,68,69)