(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[(1S)-1-carboxy-5-(phenylcarbamoylamino)pentyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[(2S)-6-[[anilino(oxo)methyl]amino]-1-hydroxy-1-oxohexan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-1-hydroxy-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[(1S)-1-carboxy-5-(phenylcarbamoylamino)pentyl]carbamoylamino]glutaric acid Formula: C19H26N4O8 MolecularWeight: 438.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H26N4O8/c24-15(25)10-9-14(17(28)29)23-19(31)22-13(16(26)27)8-4-5-11-20-18(30)21-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,20,21,30)(H2,22,23,31)/t13-,14-/m0/s1