2-[4-(3-azanyl-4-phenyl-butanoyl)-1-[2-(phenylmethyl)-3-sulfanyl-propanoyl]piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(3-azanyl-4-phenyl-butanoyl)-1-[2-(phenylmethyl)-3-sulfanyl-propanoyl]piperazin-2-yl]ethanoic acid Openeye Name: 2-[4-(3-amino-4-phenyl-butanoyl)-1-(2-benzyl-3-sulfanyl-propanoyl)piperazin-2-yl]acetic acid CAS Name: 2-[4-(3-amino-1-oxo-4-phenylbutyl)-1-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-2-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-amino-4-phenylbutanoyl)-1-(2-benzyl-3-sulfanylpropanoyl)piperazin-2-yl]acetic acid Traditional Name: 2-[4-(3-amino-4-phenyl-butanoyl)-1-(2-benzyl-3-mercapto-propanoyl)piperazin-2-yl]acetic acid Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)CC(CC2=CC=CC=C2)N)CC(=O)O)C(=O)C(CC3=CC=CC=C3)CS

Isomeric SMILES

C1CN(C(CN1C(=O)CC(CC2=CC=CC=C2)N)CC(=O)O)C(=O)C(CC3=CC=CC=C3)CS

InChI

InChI=1S/C26H33N3O4S/c27-22(14-20-9-5-2-6-10-20)15-24(30)28-11-12-29(23(17-28)16-25(31)32)26(33)21(18-34)13-19-7-3-1-4-8-19/h1-10,21-23,34H,11-18,27H2,(H,31,32)