2-isocyanato-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2-isocyanato-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-2-isocyanato-pentanoic acid CAS Name: 2-isocyanato-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-isocyanato-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-2-isocyanato-valeric acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c1-10(7-12(13(18)19)15-9-17)16-14(20)21-8-11-5-3-2-4-6-11/h2-6,10,12H,7-8H2,1H3,(H,16,20)(H,18,19)