(2S)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanedioic acid Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]butanedioic acid CAS Name: (2S)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]succinic acid Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C14H16N2O7/c17-11(16-10(13(20)21)6-12(18)19)7-15-14(22)23-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)/t10-/m0/s1