3-azanyl-7-[2-azanylethanoyl(prop-2-enyl)amino]-8-methoxy-4,6,8-tris(oxidanylidene)-5-propan-2-yl-octanoic acid

Systemtic Name: 3-azanyl-7-[2-azanylethanoyl(prop-2-enyl)amino]-8-methoxy-4,6,8-tris(oxidanylidene)-5-propan-2-yl-octanoic acid Openeye Name: 7-[allyl-(2-aminoacetyl)amino]-3-amino-5-isopropyl-8-methoxy-4,6,8-trioxo-octanoic acid CAS Name: 3-amino-7-[(2-amino-1-oxoethyl)-prop-2-enylamino]-8-methoxy-4,6,8-trioxo-5-propan-2-yloctanoic acid IUPAC Name: 3-amino-7-[(2-aminoacetyl)-prop-2-enylamino]-8-methoxy-4,6,8-trioxo-5-propan-2-yloctanoic acid Traditional Name: 7-[allyl(glycyl)amino]-3-amino-5-isopropyl-4,6,8-triketo-8-methoxy-caprylic acid Formula: C17H27N3O7 MolecularWeight: 385.41218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(CC(=O)O)N)C(=O)C(C(=O)OC)N(CC=C)C(=O)CN

Isomeric SMILES

CC(C)C(C(=O)C(CC(=O)O)N)C(=O)C(C(=O)OC)N(CC=C)C(=O)CN

InChI

InChI=1S/C17H27N3O7/c1-5-6-20(11(21)8-18)14(17(26)27-4)16(25)13(9(2)3)15(24)10(19)7-12(22)23/h5,9-10,13-14H,1,6-8,18-19H2,2-4H3,(H,22,23)