6-azanyl-2-[2-[[2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[[2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]prolyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]propanoylamino]hexanoic acid Formula: C31H55N7O9 MolecularWeight: 669.8099

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)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)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C31H55N7O9/c1-6-18(4)25(37-27(42)20(33)16-17(2)3)30(45)38-15-9-11-23(38)29(44)35-21(12-13-24(39)40)28(43)34-19(5)26(41)36-22(31(46)47)10-7-8-14-32/h17-23,25H,6-16,32-33H2,1-5H3,(H,34,43)(H,35,44)(H,36,41)(H,37,42)(H,39,40)(H,46,47)