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

Systemtic Name: S-naphthalen-2-yl 2-[2,5-bis(azanyl)pentanoylamino]-3-phenyl-propanethioate Openeye Name: S-(2-naphthyl) 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioate CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-3-phenylpropanethioic acid S-(2-naphthalenyl) ester IUPAC Name: S-naphthalen-2-yl 2-(2,5-diaminopentanoylamino)-3-phenylpropanethioate Traditional Name: 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioic acid S-(2-naphthyl) ester Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCCN)N

InChI

InChI=1S/C24H27N3O2S/c25-14-6-11-21(26)23(28)27-22(15-17-7-2-1-3-8-17)24(29)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,25-26H2,(H,27,28)