6-azanyl-2-[2-[[4-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[4-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[4-amino-2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-oxo-butanoyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[4-amino-2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[[4-amino-2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-keto-butanoyl]amino]propanoylamino]hexanoic acid Formula: C28H52N8O8 MolecularWeight: 628.76128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52N8O8/c1-7-15(4)22(36-25(40)18(30)12-14(2)3)27(42)33-17(6)24(39)35-20(13-21(31)37)26(41)32-16(5)23(38)34-19(28(43)44)10-8-9-11-29/h14-20,22H,7-13,29-30H2,1-6H3,(H2,31,37)(H,32,41)(H,33,42)(H,34,38)(H,35,39)(H,36,40)(H,43,44)