2-(2-azanylethylsulfanyl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid

Systemtic Name: 2-(2-azanylethylsulfanyl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid Openeye Name: 2-(2-aminoethylsulfanyl)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]acetic acid CAS Name: 2-(2-aminoethylthio)-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetic acid IUPAC Name: 2-(2-aminoethylsulfanyl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid Traditional Name: 2-(2-aminoethylthio)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]acetic acid Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)O)SCCN)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NC(C(=O)O)SCCN)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H21N3O5S/c1-10(12(19)18-13(14(20)21)24-8-7-16)17-15(22)23-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9,16H2,1H3,(H,17,22)(H,18,19)(H,20,21)/t10-,13?/m0/s1