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

Systemtic Name: 5-chloranyl-4-oxidanylidene-2-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]pentanoic acid Openeye Name: 2-[2-[2-(benzyloxycarbonylamino)propanoylamino]propanoylamino]-5-chloro-4-oxo-pentanoic acid CAS Name: 5-chloro-4-oxo-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propyl]amino]pentanoic acid IUPAC Name: 5-chloro-4-oxo-2-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]pentanoic acid Traditional Name: 2-[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)CCl)C(=O)O)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

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