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

Systemtic Name: 2-(2-dimethylaminoethylsulfanyl)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-(2-dimethylaminoethylsulfanyl)acetic acid CAS Name: 2-(2-dimethylaminoethylthio)-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]acetic acid IUPAC Name: 2-(2-dimethylaminoethylsulfanyl)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-(2-dimethylaminoethylthio)acetic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C)CCSC(C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O5S/c1-26(2)13-14-32-21(22(28)29)25-20(27)19(15-17-9-5-3-6-10-17)24-23(30)31-16-18-11-7-4-8-12-18/h3-12,19,21H,13-16H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t19-,21?/m0/s1