S-(2-ethylphenyl) 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)amino]pentanethioate

Systemtic Name: S-(2-ethylphenyl) 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)amino]pentanethioate Openeye Name: S-(2-ethylphenyl) 5-amino-2-[(2-amino-4-phenyl-butanoyl)amino]pentanethioate CAS Name: 5-amino-2-[(2-amino-1-oxo-4-phenylbutyl)amino]pentanethioic acid S-(2-ethylphenyl) ester IUPAC Name: S-(2-ethylphenyl) 5-amino-2-[(2-amino-4-phenylbutanoyl)amino]pentanethioate Traditional Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)amino]pentanethioic acid S-(2-ethylphenyl) ester Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1SC(=O)C(CCCN)NC(=O)C(CCC2=CC=CC=C2)N

Isomeric SMILES

CCC1=CC=CC=C1SC(=O)C(CCCN)NC(=O)C(CCC2=CC=CC=C2)N

InChI

InChI=1S/C23H31N3O2S/c1-2-18-11-6-7-13-21(18)29-23(28)20(12-8-16-24)26-22(27)19(25)15-14-17-9-4-3-5-10-17/h3-7,9-11,13,19-20H,2,8,12,14-16,24-25H2,1H3,(H,26,27)