5-azanyl-5-oxidanylidene-2-[[2-phenyl-5-[(3-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[[2-phenyl-5-[(3-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[[2-phenyl-5-[(3-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]pentanoic acid CAS Name: 5-amino-2-[[[5-[(3-mercapto-2-pyrrolidinyl)methylamino]-2-phenylphenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-5-oxo-2-[[2-phenyl-5-[(3-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[[5-[(3-mercaptopyrrolidin-2-yl)methylamino]-2-phenyl-benzoyl]amino]valeric acid Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1S)CNC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1CNC(C1S)CNC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C23H28N4O4S/c24-21(28)9-8-18(23(30)31)27-22(29)17-12-15(26-13-19-20(32)10-11-25-19)6-7-16(17)14-4-2-1-3-5-14/h1-7,12,18-20,25-26,32H,8-11,13H2,(H2,24,28)(H,27,29)(H,30,31)