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

Systemtic Name: (3S)-3-[2-[3-(naphthalen-1-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]hexanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid Openeye Name: (3S)-3-[2-[3-(naphthalene-1-carbonylamino)-2-oxo-1-pyridyl]hexanoylamino]-4-oxo-5-phenoxy-pentanoic acid CAS Name: (3S)-3-[[2-[3-[[1-naphthalenyl(oxo)methyl]amino]-2-oxo-1-pyridinyl]-1-oxohexyl]amino]-4-oxo-5-phenoxypentanoic acid IUPAC Name: (3S)-3-[2-[3-(naphthalene-1-carbonylamino)-2-oxopyridin-1-yl]hexanoylamino]-4-oxo-5-phenoxypentanoic acid Traditional Name: (3S)-4-keto-3-[2-[2-keto-3-(1-naphthoylamino)-1-pyridyl]hexanoylamino]-5-phenoxy-valeric acid Formula: C33H33N3O7 MolecularWeight: 583.63102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C(=O)COC1=CC=CC=C1)N2C=CC=C(C2=O)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC(C(=O)N[C@@H](CC(=O)O)C(=O)COC1=CC=CC=C1)N2C=CC=C(C2=O)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C33H33N3O7/c1-2-3-18-28(32(41)35-27(20-30(38)39)29(37)21-43-23-13-5-4-6-14-23)36-19-10-17-26(33(36)42)34-31(40)25-16-9-12-22-11-7-8-15-24(22)25/h4-17,19,27-28H,2-3,18,20-21H2,1H3,(H,34,40)(H,35,41)(H,38,39)/t27-,28?/m0/s1