(2R)-2-azanyl-N-[4-(2-naphthalen-2-ylethanoylamino)-3-(phenylcarbonyl)phenyl]-3-sulfanyl-propanamide hydrochloride

Systemtic Name: (2R)-2-azanyl-N-[4-(2-naphthalen-2-ylethanoylamino)-3-(phenylcarbonyl)phenyl]-3-sulfanyl-propanamide hydrochloride Openeye Name: (2R)-2-amino-N-[3-benzoyl-4-[[2-(2-naphthyl)acetyl]amino]phenyl]-3-sulfanyl-propanamide hydrochloride CAS Name: (2R)-2-amino-N-[3-benzoyl-4-[[2-(2-naphthalenyl)-1-oxoethyl]amino]phenyl]-3-mercaptopropanamide hydrochloride IUPAC Name: (2R)-2-amino-N-[3-benzoyl-4-[(2-naphthalen-2-ylacetyl)amino]phenyl]-3-sulfanylpropanamide hydrochloride Traditional Name: (2R)-2-amino-N-[3-benzoyl-4-[[2-(2-naphthyl)acetyl]amino]phenyl]-3-mercapto-propionamide hydrochloride Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(CS)N)NC(=O)CC3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)NC(=O)[C@H](CS)N)NC(=O)CC3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C28H25N3O3S.ClH/c29-24(17-35)28(34)30-22-12-13-25(23(16-22)27(33)20-7-2-1-3-8-20)31-26(32)15-18-10-11-19-6-4-5-9-21(19)14-18;/h1-14,16,24,35H,15,17,29H2,(H,30,34)(H,31,32);1H/t24-;/m0./s1