6-azanyl-2-[3-[2-[[2-[[2-[2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[3-[2-[[2-[[2-[2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[3-[[2-[[2-[[2-[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]acetyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[3-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[3-[[2-[[2-[[2-[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[3-[[2-[[2-[[2-[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]acetyl]amino]propanoylamino]hexanoic acid Formula: C42H66N10O11 MolecularWeight: 887.03384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCCC(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCCC(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C42H66N10O11/c1-6-24(4)36(52-38(58)28(44)20-26-21-46-29-12-8-7-11-27(26)29)41(61)48-25(5)37(57)51-32(19-23(2)3)40(60)50-30(14-15-35(55)56)39(59)47-22-34(54)45-18-16-33(53)49-31(42(62)63)13-9-10-17-43/h7-8,11-12,21,23-25,28,30-32,36,46H,6,9-10,13-20,22,43-44H2,1-5H3,(H,45,54)(H,47,59)(H,48,61)(H,49,53)(H,50,60)(H,51,57)(H,52,58)(H,55,56)(H,62,63)