2-(3-azanylpropylsulfanyl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid

Systemtic Name: 2-(3-azanylpropylsulfanyl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid Openeye Name: 2-(3-aminopropylsulfanyl)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]acetic acid CAS Name: 2-(3-aminopropylthio)-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetic acid IUPAC Name: 2-(3-aminopropylsulfanyl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid Traditional Name: 2-(3-aminopropylthio)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]acetic acid Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-11(13(20)19-14(15(21)22)25-9-5-8-17)18-16(23)24-10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)/t11-,14?/m0/s1