(2S)-5-(aminocarbonylamino)-2-[(4-methoxyphenyl)sulfonylamino]pentanoate

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[(4-methoxyphenyl)sulfonylamino]pentanoate Openeye Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-5-ureido-pentanoate CAS Name: (2S)-5-(carbamoylamino)-2-[(4-methoxyphenyl)sulfonylamino]pentanoate IUPAC Name: (2S)-5-(carbamoylamino)-2-[(4-methoxyphenyl)sulfonylamino]pentanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-5-ureido-valerate Formula: C13H18N3O6S- MolecularWeight: 344.36352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)N)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCNC(=O)N)C(=O)[O-]

InChI

InChI=1S/C13H19N3O6S/c1-22-9-4-6-10(7-5-9)23(20,21)16-11(12(17)18)3-2-8-15-13(14)19/h4-7,11,16H,2-3,8H2,1H3,(H,17,18)(H3,14,15,19)/p-1/t11-/m0/s1