(Z)-5-[3-(aminomethyl)pyridin-2-yl]-2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-pent-4-enoic acid

Systemtic Name: (Z)-5-[3-(aminomethyl)pyridin-2-yl]-2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-pent-4-enoic acid Openeye Name: (Z)-2-amino-5-[3-(aminomethyl)-2-pyridyl]-4-methylsulfanyl-2-(2-phenylbenzoyl)pent-4-enoic acid CAS Name: (Z)-2-amino-5-[3-(aminomethyl)-2-pyridinyl]-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-4-pentenoic acid IUPAC Name: (Z)-2-amino-5-[3-(aminomethyl)pyridin-2-yl]-4-methylsulfanyl-2-(2-phenylbenzoyl)pent-4-enoic acid Traditional Name: (Z)-2-amino-5-[3-(aminomethyl)-2-pyridyl]-4-(methylthio)-2-(2-phenylbenzoyl)pent-4-enoic acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC1=C(C=CC=N1)CN)CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CS/C(=C\C1=C(C=CC=N1)CN)/CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C25H25N3O3S/c1-32-19(14-22-18(16-26)10-7-13-28-22)15-25(27,24(30)31)23(29)21-12-6-5-11-20(21)17-8-3-2-4-9-17/h2-14H,15-16,26-27H2,1H3,(H,30,31)/b19-14-