2-[[2-[[6-azanyl-2-[[1-[2-[2,6-bis(azanyl)hexanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[6-azanyl-2-[[1-[2-[2,6-bis(azanyl)hexanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[6-amino-2-[[1-[2-(2,6-diaminohexanoylamino)-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[6-amino-2-[[[1-[2-[(2,6-diamino-1-oxohexyl)amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[6-amino-2-[[1-[2-(2,6-diaminohexanoylamino)-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[6-amino-2-[[1-[2-(2,6-diaminohexanoylamino)-4-hydroxy-4-keto-butanoyl]prolyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-valeric acid Formula: C33H61N11O9 MolecularWeight: 755.90574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61N11O9/c1-19(2)17-24(32(52)53)43-29(49)22(11-7-15-39-33(37)38)40-28(48)21(10-4-6-14-35)41-30(50)25-12-8-16-44(25)31(51)23(18-26(45)46)42-27(47)20(36)9-3-5-13-34/h19-25H,3-18,34-36H2,1-2H3,(H,40,48)(H,41,50)(H,42,47)(H,43,49)(H,45,46)(H,52,53)(H4,37,38,39)