S-(phenylmethyl) 2-[2,5-bis(azanyl)pentanoylamino]-3-phenyl-propanethioate

Systemtic Name: S-(phenylmethyl) 2-[2,5-bis(azanyl)pentanoylamino]-3-phenyl-propanethioate Openeye Name: S-benzyl 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioate CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-3-phenylpropanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 2-(2,5-diaminopentanoylamino)-3-phenylpropanethioate Traditional Name: 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioic acid S-benzyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SCC2=CC=CC=C2)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SCC2=CC=CC=C2)NC(=O)C(CCCN)N

InChI

InChI=1S/C21H27N3O2S/c22-13-7-12-18(23)20(25)24-19(14-16-8-3-1-4-9-16)21(26)27-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22-23H2,(H,24,25)