(2S)-2-[[(2S)-4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-4-hydroxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-4-hydroxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-hydroxy-4-keto-butanoyl]amino]succinic acid Formula: C16H18N2O9 MolecularWeight: 382.32212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O9/c19-12(20)6-10(14(23)17-11(15(24)25)7-13(21)22)18-16(26)27-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,17,23)(H,18,26)(H,19,20)(H,21,22)(H,24,25)/t10-,11-/m0/s1