5-chloranyl-4-oxidanylidene-3-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]pentanoic acid

Systemtic Name: 5-chloranyl-4-oxidanylidene-3-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]pentanoic acid Openeye Name: 3-[2-[2-(benzyloxycarbonylamino)propanoylamino]propanoylamino]-5-chloro-4-oxo-pentanoic acid CAS Name: 5-chloro-4-oxo-3-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propyl]amino]pentanoic acid IUPAC Name: 5-chloro-4-oxo-3-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]pentanoic acid Traditional Name: 3-[2-[2-(benzyloxycarbonylamino)propanoylamino]propanoylamino]-5-chloro-4-keto-valeric acid Formula: C19H24ClN3O7 MolecularWeight: 441.86276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)CCl)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)CCl)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H24ClN3O7/c1-11(18(28)23-14(8-16(25)26)15(24)9-20)21-17(27)12(2)22-19(29)30-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,21,27)(H,22,29)(H,23,28)(H,25,26)