6-azanyl-2-[[2-[[5-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[5-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[5-amino-2-[[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[5-amino-2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[5-amino-2-[[2-(2,6-diaminohexanoylamino)-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[5-amino-2-[[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoic acid Formula: C27H50N8O9 MolecularWeight: 630.7341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N8O9/c1-3-15(2)22(35-23(39)16(30)8-4-6-12-28)26(42)32-17(10-11-20(31)36)24(40)34-19(14-21(37)38)25(41)33-18(27(43)44)9-5-7-13-29/h15-19,22H,3-14,28-30H2,1-2H3,(H2,31,36)(H,32,42)(H,33,41)(H,34,40)(H,35,39)(H,37,38)(H,43,44)