(3S)-3-[2-[6-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-yl]ethanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid

Systemtic Name: (3S)-3-[2-[6-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-yl]ethanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid Openeye Name: (3S)-3-[[2-[3-(benzyloxycarbonylamino)-6-methyl-2-oxo-1-pyridyl]acetyl]amino]-4-oxo-5-phenoxy-pentanoic acid CAS Name: (3S)-3-[[2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]-1-oxoethyl]amino]-4-oxo-5-phenoxypentanoic acid IUPAC Name: (3S)-3-[[2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)pyridin-1-yl]acetyl]amino]-4-oxo-5-phenoxypentanoic acid Traditional Name: (3S)-3-[[2-[3-(benzyloxycarbonylamino)-2-keto-6-methyl-1-pyridyl]acetyl]amino]-4-keto-5-phenoxy-valeric acid Formula: C27H27N3O8 MolecularWeight: 521.51858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC(=O)NC(CC(=O)O)C(=O)COC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C(=O)N1CC(=O)N[C@@H](CC(=O)O)C(=O)COC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O8/c1-18-12-13-21(29-27(36)38-16-19-8-4-2-5-9-19)26(35)30(18)15-24(32)28-22(14-25(33)34)23(31)17-37-20-10-6-3-7-11-20/h2-13,22H,14-17H2,1H3,(H,28,32)(H,29,36)(H,33,34)/t22-/m0/s1