(4S)-4-[(4-butoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-prop-2-enoxycarbonylpiperazin-1-yl)pentanoic acid

Systemtic Name: (4S)-4-[(4-butoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-prop-2-enoxycarbonylpiperazin-1-yl)pentanoic acid Openeye Name: (4S)-5-(4-allyloxycarbonylpiperazin-1-yl)-4-[(4-butoxy-6-phenyl-pyridine-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(4-butoxy-6-phenyl-2-pyridinyl)-oxomethyl]amino]-5-oxo-5-[4-[oxo(prop-2-enoxy)methyl]-1-piperazinyl]pentanoic acid IUPAC Name: (4S)-4-[(4-butoxy-6-phenylpyridine-2-carbonyl)amino]-5-oxo-5-(4-prop-2-enoxycarbonylpiperazin-1-yl)pentanoic acid Traditional Name: (4S)-5-(4-allyloxycarbonylpiperazino)-4-[(4-butoxy-6-phenyl-picolinoyl)amino]-5-keto-valeric acid Formula: C29H36N4O7 MolecularWeight: 552.61874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC(=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC=C)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC(=NC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC=C)C3=CC=CC=C3

InChI

InChI=1S/C29H36N4O7/c1-3-5-18-39-22-19-24(21-9-7-6-8-10-21)30-25(20-22)27(36)31-23(11-12-26(34)35)28(37)32-13-15-33(16-14-32)29(38)40-17-4-2/h4,6-10,19-20,23H,2-3,5,11-18H2,1H3,(H,31,36)(H,34,35)/t23-/m0/s1