2-[[2-[[2-[[1-[2-[2,6-bis(azanyl)hexanoylamino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[[1-[2-[2,6-bis(azanyl)hexanoylamino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-[[1-[2-(2,6-diaminohexanoylamino)-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[5-(diaminomethylideneamino)-2-[[[1-[2-[(2,6-diamino-1-oxohexyl)amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-[[1-[2-(2,6-diaminohexanoylamino)-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[2-[[1-[2-(2,6-diaminohexanoylamino)-3-hydroxy-butanoyl]prolyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butyric acid Formula: C30H56N10O9 MolecularWeight: 700.82724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C30H56N10O9/c1-15(2)21(27(46)39-23(17(4)42)29(48)49)37-25(44)19(10-7-13-35-30(33)34)36-26(45)20-11-8-14-40(20)28(47)22(16(3)41)38-24(43)18(32)9-5-6-12-31/h15-23,41-42H,5-14,31-32H2,1-4H3,(H,36,45)(H,37,44)(H,38,43)(H,39,46)(H,48,49)(H4,33,34,35)