(2R)-2-[2-[carboxymethyl(2-thiophen-3-ylethanoyl)amino]ethanoylamino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid

Systemtic Name: (2R)-2-[2-[carboxymethyl(2-thiophen-3-ylethanoyl)amino]ethanoylamino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid Openeye Name: (2R)-3-[4-(benzyloxycarbonylamino)phenyl]-2-[[2-[carboxymethyl-[2-(3-thienyl)acetyl]amino]acetyl]amino]propanoic acid CAS Name: (2R)-2-[[2-[carboxymethyl-[1-oxo-2-(3-thiophenyl)ethyl]amino]-1-oxoethyl]amino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid IUPAC Name: (2R)-2-[[2-[carboxymethyl-(2-thiophen-3-ylacetyl)amino]acetyl]amino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid Traditional Name: (2R)-3-[4-(benzyloxycarbonylamino)phenyl]-2-[[2-[carboxymethyl-[2-(3-thienyl)acetyl]amino]acetyl]amino]propionic acid Formula: C27H27N3O8S MolecularWeight: 553.58358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)CC(C(=O)O)NC(=O)CN(CC(=O)O)C(=O)CC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)C[C@H](C(=O)O)NC(=O)CN(CC(=O)O)C(=O)CC3=CSC=C3

InChI

InChI=1S/C27H27N3O8S/c31-23(14-30(15-25(33)34)24(32)13-20-10-11-39-17-20)29-22(26(35)36)12-18-6-8-21(9-7-18)28-27(37)38-16-19-4-2-1-3-5-19/h1-11,17,22H,12-16H2,(H,28,37)(H,29,31)(H,33,34)(H,35,36)/t22-/m1/s1