2-[[2-[[4-azanyl-2-[[1-[5-azanyl-2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[4-azanyl-2-[[1-[5-azanyl-2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[4-amino-2-[[1-[5-amino-2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[4-amino-2-[[[1-[5-amino-2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[4-amino-2-[[1-[5-amino-2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[4-amino-2-[[1-[5-amino-2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-pentanoyl]prolyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-valeric acid Formula: C33H53N9O15 MolecularWeight: 815.82522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C1CCCN1C(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C1CCCN1C(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C33H53N9O15/c1-4-14(2)25(33(56)57)40-31(54)26(15(3)43)41-29(52)19(13-22(36)45)39-30(53)20-6-5-11-42(20)32(55)18(7-9-21(35)44)38-28(51)17(8-10-23(46)47)37-27(50)16(34)12-24(48)49/h14-20,25-26,43H,4-13,34H2,1-3H3,(H2,35,44)(H2,36,45)(H,37,50)(H,38,51)(H,39,53)(H,40,54)(H,41,52)(H,46,47)(H,48,49)(H,56,57)