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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C(CCCN)C(=O)S)C(=O)C(CCC2=CC=CC=C2)N

Isomeric SMILES

CCC1=CC=CC=C1N(C(CCCN)C(=O)S)C(=O)C(CCC2=CC=CC=C2)N

InChI

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