(2R)-2-[[(2S)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-3-mercapto-2-[[oxo-[(2S)-1-[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]prolyl]amino]-3-mercapto-propionic acid Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C25H29N3O6S/c29-22(26-20(16-35)24(31)32)21-12-7-13-28(21)23(30)19(14-17-8-3-1-4-9-17)27-25(33)34-15-18-10-5-2-6-11-18/h1-6,8-11,19-21,35H,7,12-16H2,(H,26,29)(H,27,33)(H,31,32)/t19-,20-,21-/m0/s1