2-[[(2S)-2-azanylpropanoyl]-phenylmethoxycarbonyl-amino]-2-pyridin-2-yl-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[[(2S)-2-azanylpropanoyl]-phenylmethoxycarbonyl-amino]-2-pyridin-2-yl-2-sulfanyl-ethanoic acid Openeye Name: 2-[[(2S)-2-aminopropanoyl]-benzyloxycarbonyl-amino]-2-(2-pyridyl)-2-sulfanyl-acetic acid CAS Name: 2-[[(2S)-2-amino-1-oxopropyl]-phenylmethoxycarbonylamino]-2-mercapto-2-(2-pyridinyl)acetic acid IUPAC Name: 2-[[(2S)-2-aminopropanoyl]-phenylmethoxycarbonylamino]-2-pyridin-2-yl-2-sulfanylacetic acid Traditional Name: 2-[[(2S)-2-aminopropanoyl]-carbobenzoxy-amino]-2-mercapto-2-(2-pyridyl)acetic acid Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C(C2=CC=CC=N2)(C(=O)O)S)N

Isomeric SMILES

C[C@@H](C(=O)N(C(=O)OCC1=CC=CC=C1)C(C2=CC=CC=N2)(C(=O)O)S)N

InChI

InChI=1S/C18H19N3O5S/c1-12(19)15(22)21(17(25)26-11-13-7-3-2-4-8-13)18(27,16(23)24)14-9-5-6-10-20-14/h2-10,12,27H,11,19H2,1H3,(H,23,24)/t12-,18?/m0/s1