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

Systemtic Name: (Z)-5-[4-(aminomethyl)pyridin-2-yl]-2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-pent-4-enoic acid Openeye Name: (Z)-2-amino-5-[4-(aminomethyl)-2-pyridyl]-4-methylsulfanyl-2-(2-phenylbenzoyl)pent-4-enoic acid CAS Name: (Z)-2-amino-5-[4-(aminomethyl)-2-pyridinyl]-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-4-pentenoic acid IUPAC Name: (Z)-2-amino-5-[4-(aminomethyl)pyridin-2-yl]-4-methylsulfanyl-2-(2-phenylbenzoyl)pent-4-enoic acid Traditional Name: (Z)-2-amino-5-[4-(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=NC=CC(=C1)CN)CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-32-20(14-19-13-17(16-26)11-12-28-19)15-25(27,24(30)31)23(29)22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-14H,15-16,26-27H2,1H3,(H,30,31)/b20-14-