(2R)-2-[[2-(2-naphthalen-1-ylethanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(2-naphthalen-1-ylethanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[[2-(1-naphthyl)acetyl]amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(2-naphthalen-1-ylacetyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[[2-(1-naphthyl)acetyl]amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H26N2O4S/c28-23(16-19-11-6-10-18-9-4-5-12-20(18)19)26-21(13-14-32)24(29)27-22(25(30)31)15-17-7-2-1-3-8-17/h1-12,21-22,32H,13-16H2,(H,26,28)(H,27,29)(H,30,31)/t21?,22-/m1/s1