(3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonic acid

Systemtic Name: (3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonic acid Openeye Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pentane-1-sulfonic acid CAS Name: (3S)-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-5-phenyl-1-pentanesulfonic acid IUPAC Name: (3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonic acid Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pentane-1-sulfonic acid Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCS(=O)(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O6S/c31-27(29-25(18-19-37(33,34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(32)36-21-24-14-8-3-9-15-24/h1-15,25-26H,16-21H2,(H,29,31)(H,30,32)(H,33,34,35)/t25-,26-/m0/s1