4-[bis[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]butanoic acid

Systemtic Name: 4-[bis[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]butanoic acid Openeye Name: 4-[bis[(2S)-3-phenyl-2-(thiazol-5-ylmethoxycarbonylamino)propyl]amino]butanoic acid CAS Name: 4-[bis[(2S)-2-[[oxo(5-thiazolylmethoxy)methyl]amino]-3-phenylpropyl]amino]butanoic acid IUPAC Name: 4-[bis[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]butanoic acid Traditional Name: 4-[bis[(2S)-3-phenyl-2-(thiazol-5-ylmethoxycarbonylamino)propyl]amino]butyric acid Formula: C32H37N5O6S2 MolecularWeight: 651.79608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN(CCCC(=O)O)CC(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)NC(=O)OCC4=CN=CS4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CN(CCCC(=O)O)C[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)NC(=O)OCC4=CN=CS4

InChI

InChI=1S/C32H37N5O6S2/c38-30(39)12-7-13-37(18-26(14-24-8-3-1-4-9-24)35-31(40)42-20-28-16-33-22-44-28)19-27(15-25-10-5-2-6-11-25)36-32(41)43-21-29-17-34-23-45-29/h1-6,8-11,16-17,22-23,26-27H,7,12-15,18-21H2,(H,35,40)(H,36,41)(H,38,39)/t26-,27-/m0/s1