3-naphthalen-1-yl-3-[[1-oxidanylidene-1-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]hexan-2-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-naphthalen-1-yl-3-[[1-oxidanylidene-1-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]hexan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-[1-[benzyl(2-thienylmethyl)carbamoyl]pentylcarbamoylamino]-3-(1-naphthyl)propanoic acid CAS Name: 3-(1-naphthalenyl)-3-[[oxo-[[1-oxo-1-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]hexan-2-yl]amino]methyl]amino]propanoic acid IUPAC Name: 3-[[1-[benzyl(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 3-[1-[benzyl(2-thenyl)carbamoyl]pentylcarbamoylamino]-3-(1-naphthyl)propionic acid Formula: C32H35N3O4S MolecularWeight: 557.703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)NC(=O)NC(CC(=O)O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)NC(=O)NC(CC(=O)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C32H35N3O4S/c1-2-3-18-28(31(38)35(22-25-15-10-19-40-25)21-23-11-5-4-6-12-23)33-32(39)34-29(20-30(36)37)27-17-9-14-24-13-7-8-16-26(24)27/h4-17,19,28-29H,2-3,18,20-22H2,1H3,(H,36,37)(H2,33,34,39)