S-naphthalen-2-yl 2-[2,5-bis(azanyl)pentanoylamino]-4-methyl-pentanethioate

Systemtic Name: S-naphthalen-2-yl 2-[2,5-bis(azanyl)pentanoylamino]-4-methyl-pentanethioate Openeye Name: S-(2-naphthyl) 2-(2,5-diaminopentanoylamino)-4-methyl-pentanethioate CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-4-methylpentanethioic acid S-(2-naphthalenyl) ester IUPAC Name: S-naphthalen-2-yl 2-(2,5-diaminopentanoylamino)-4-methylpentanethioate Traditional Name: 2-(2,5-diaminopentanoylamino)-4-methyl-pentanethioic acid S-(2-naphthyl) ester Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)SC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCN)N

Isomeric SMILES

CC(C)CC(C(=O)SC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCN)N

InChI

InChI=1S/C21H29N3O2S/c1-14(2)12-19(24-20(25)18(23)8-5-11-22)21(26)27-17-10-9-15-6-3-4-7-16(15)13-17/h3-4,6-7,9-10,13-14,18-19H,5,8,11-12,22-23H2,1-2H3,(H,24,25)