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

Systemtic Name: 2-[[2-[[6-azanyl-2-[[5-[bis(azanyl)methylideneamino]-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[6-amino-2-[[5-guanidino-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[6-amino-2-[[5-(diaminomethylideneamino)-1-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[6-amino-2-[[5-(diaminomethylideneamino)-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[6-amino-2-[[5-guanidino-2-(pyroglutamoylamino)pentanoyl]amino]hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C26H45N9O9 MolecularWeight: 627.6904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCC(=O)N1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCC(=O)N1

InChI

InChI=1S/C26H45N9O9/c1-13(2)20(25(43)44)35-24(42)17(12-19(37)38)34-22(40)14(6-3-4-10-27)32-21(39)15(7-5-11-30-26(28)29)33-23(41)16-8-9-18(36)31-16/h13-17,20H,3-12,27H2,1-2H3,(H,31,36)(H,32,39)(H,33,41)(H,34,40)(H,35,42)(H,37,38)(H,43,44)(H4,28,29,30)