2-[[2-[[1-[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-2-yl)propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[[1-[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-2-yl)propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[1-[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-2-yl)propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[[1-[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-2-yl)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[1-[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-2-yl)propanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[1-[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-3-(1H-indol-2-yl)propanoyl]amino]-3-hydroxy-butyric acid Formula: C45H64N8O10 MolecularWeight: 877.03726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC3=CC4=CC=CC=C4N3)C(=O)NC(C(C)O)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC3=CC4=CC=CC=C4N3)C(=O)NC(C(C)O)C(=O)O)N

InChI

InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-30(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)22-29-21-28-11-8-9-12-32(28)47-29/h8-9,11-12,14-17,21,23-26,31,33-38,47,54-55H,10,13,18-20,22,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)