6-azanyl-2-[[4-(2-azanylethanoylamino)-1-(1H-imidazol-5-yl)-6-methyl-3-oxidanylidene-heptan-2-yl]carbamoyl]hexanoic acid

Systemtic Name: 6-azanyl-2-[[4-(2-azanylethanoylamino)-1-(1H-imidazol-5-yl)-6-methyl-3-oxidanylidene-heptan-2-yl]carbamoyl]hexanoic acid Openeye Name: 6-amino-2-[[3-[(2-aminoacetyl)amino]-1-(1H-imidazol-5-ylmethyl)-5-methyl-2-oxo-hexyl]carbamoyl]hexanoic acid CAS Name: 6-amino-2-[[[4-[(2-amino-1-oxoethyl)amino]-1-(1H-imidazol-5-yl)-6-methyl-3-oxoheptan-2-yl]amino]-oxomethyl]hexanoic acid IUPAC Name: 6-amino-2-[[4-[(2-aminoacetyl)amino]-1-(1H-imidazol-5-yl)-6-methyl-3-oxoheptan-2-yl]carbamoyl]hexanoic acid Traditional Name: 6-amino-2-[[3-(glycylamino)-1-(1H-imidazol-5-ylmethyl)-2-keto-5-methyl-hexyl]carbamoyl]hexanoic acid Formula: C20H34N6O5 MolecularWeight: 438.52116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CC1=CN=CN1)NC(=O)C(CCCCN)C(=O)O)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)C(CC1=CN=CN1)NC(=O)C(CCCCN)C(=O)O)NC(=O)CN

InChI

InChI=1S/C20H34N6O5/c1-12(2)7-15(25-17(27)9-22)18(28)16(8-13-10-23-11-24-13)26-19(29)14(20(30)31)5-3-4-6-21/h10-12,14-16H,3-9,21-22H2,1-2H3,(H,23,24)(H,25,27)(H,26,29)(H,30,31)