(3S)-3-[2-[5-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-pyrimidin-1-yl]hexanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid

Systemtic Name: (3S)-3-[2-[5-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-pyrimidin-1-yl]hexanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid Openeye Name: (3S)-3-[2-[5-(naphthalene-1-carbonylamino)-6-oxo-pyrimidin-1-yl]hexanoylamino]-4-oxo-5-phenoxy-pentanoic acid CAS Name: (3S)-3-[[2-[5-[[1-naphthalenyl(oxo)methyl]amino]-6-oxo-1-pyrimidinyl]-1-oxohexyl]amino]-4-oxo-5-phenoxypentanoic acid IUPAC Name: (3S)-3-[2-[5-(naphthalene-1-carbonylamino)-6-oxopyrimidin-1-yl]hexanoylamino]-4-oxo-5-phenoxypentanoic acid Traditional Name: (3S)-4-keto-3-[2-[6-keto-5-(1-naphthoylamino)pyrimidin-1-yl]hexanoylamino]-5-phenoxy-valeric acid Formula: C32H32N4O7 MolecularWeight: 584.61908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H32N4O7/c1-2-3-16-27(31(41)34-25(17-29(38)39)28(37)19-43-22-12-5-4-6-13-22)36-20-33-18-26(32(36)42)35-30(40)24-15-9-11-21-10-7-8-14-23(21)24/h4-15,18,20,25,27H,2-3,16-17,19H2,1H3,(H,34,41)(H,35,40)(H,38,39)/t25-,27?/m0/s1