(3S)-3-[2-[6-ethyl-3-(naphthalen-1-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]ethanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid

Systemtic Name: (3S)-3-[2-[6-ethyl-3-(naphthalen-1-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]ethanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid Openeye Name: (3S)-3-[[2-[6-ethyl-3-(naphthalene-1-carbonylamino)-2-oxo-1-pyridyl]acetyl]amino]-4-oxo-5-phenoxy-pentanoic acid CAS Name: (3S)-3-[[2-[6-ethyl-3-[[1-naphthalenyl(oxo)methyl]amino]-2-oxo-1-pyridinyl]-1-oxoethyl]amino]-4-oxo-5-phenoxypentanoic acid IUPAC Name: (3S)-3-[[2-[6-ethyl-3-(naphthalene-1-carbonylamino)-2-oxopyridin-1-yl]acetyl]amino]-4-oxo-5-phenoxypentanoic acid Traditional Name: (3S)-3-[[2-[6-ethyl-2-keto-3-(1-naphthoylamino)-1-pyridyl]acetyl]amino]-4-keto-5-phenoxy-valeric acid Formula: C31H29N3O7 MolecularWeight: 555.57786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C(=O)N1CC(=O)NC(CC(=O)O)C(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=C(C(=O)N1CC(=O)N[C@@H](CC(=O)O)C(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C31H29N3O7/c1-2-21-15-16-25(33-30(39)24-14-8-10-20-9-6-7-13-23(20)24)31(40)34(21)18-28(36)32-26(17-29(37)38)27(35)19-41-22-11-4-3-5-12-22/h3-16,26H,2,17-19H2,1H3,(H,32,36)(H,33,39)(H,37,38)/t26-/m0/s1