2-azanyl-3-(methylsulfanylmethyl)-5-oxidanylidene-2-(2-phenylphenyl)carbonyl-5-(pyridin-2-ylamino)pentanoic acid

Systemtic Name: 2-azanyl-3-(methylsulfanylmethyl)-5-oxidanylidene-2-(2-phenylphenyl)carbonyl-5-(pyridin-2-ylamino)pentanoic acid Openeye Name: 2-amino-3-(methylsulfanylmethyl)-5-oxo-2-(2-phenylbenzoyl)-5-(2-pyridylamino)pentanoic acid CAS Name: 2-amino-3-[(methylthio)methyl]-5-oxo-2-[oxo-(2-phenylphenyl)methyl]-5-(2-pyridinylamino)pentanoic acid IUPAC Name: 2-amino-3-(methylsulfanylmethyl)-5-oxo-2-(2-phenylbenzoyl)-5-(pyridin-2-ylamino)pentanoic acid Traditional Name: 2-amino-5-keto-3-[(methylthio)methyl]-2-(2-phenylbenzoyl)-5-(2-pyridylamino)valeric acid Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CC(=O)NC1=CC=CC=N1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCC(CC(=O)NC1=CC=CC=N1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C25H25N3O4S/c1-33-16-18(15-22(29)28-21-13-7-8-14-27-21)25(26,24(31)32)23(30)20-12-6-5-11-19(20)17-9-3-2-4-10-17/h2-14,18H,15-16,26H2,1H3,(H,31,32)(H,27,28,29)