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

Systemtic Name: (2S)-2-[[(2S)-6-(naphthalen-1-ylmethylamino)-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[(1S)-1-carboxy-5-(1-naphthylmethylamino)pentyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[(2S)-1-hydroxy-6-(1-naphthalenylmethylamino)-1-oxohexan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-1-hydroxy-6-(naphthalen-1-ylmethylamino)-1-oxohexan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[(1S)-1-carboxy-5-(1-naphthylmethylamino)pentyl]carbamoylamino]glutaric acid Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H29N3O7/c27-20(28)12-11-19(22(31)32)26-23(33)25-18(21(29)30)10-3-4-13-24-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18-19,24H,3-4,10-14H2,(H,27,28)(H,29,30)(H,31,32)(H2,25,26,33)/t18-,19-/m0/s1