2-[2-[2-[[2-[[1-[6-azanyl-2-[[2-[[2-[[1-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]propanoylamino]propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[2-[[2-[[1-[6-azanyl-2-[[2-[[2-[[1-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]propanoylamino]propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-[2-[[2-[[1-[6-amino-2-[[2-[[2-[[1-[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]propanoylamino]propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[[2-[[[1-[6-amino-2-[[2-[[2-[[[1-[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-[2-[[2-[[1-[6-amino-2-[[2-[[2-[[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]propanoylamino]propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[2-[[2-[[1-[6-amino-2-[[2-[[2-[[1-[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-hydroxy-butanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoyl]prolyl]amino]-3-methyl-butanoyl]amino]propanoylamino]propanoylamino]-3-methyl-butyric acid Formula: C49H85N15O16 MolecularWeight: 1140.2901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C49H85N15O16/c1-23(2)35(45(76)56-25(5)38(69)55-26(6)39(70)61-36(24(3)4)48(79)80)60-44(75)33-16-11-19-63(33)46(77)29(14-8-9-17-50)57-41(72)30(21-34(67)68)58-42(73)31(22-65)59-43(74)32-15-12-20-64(32)47(78)37(27(7)66)62-40(71)28(51)13-10-18-54-49(52)53/h23-33,35-37,65-66H,8-22,50-51H2,1-7H3,(H,55,69)(H,56,76)(H,57,72)(H,58,73)(H,59,74)(H,60,75)(H,61,70)(H,62,71)(H,67,68)(H,79,80)(H4,52,53,54)