2-azanyl-3-[2-(4-azanylbutanoylamino)ethanoylamino]-2-(phenylsulfonyl)propanoic acid

Systemtic Name: 2-azanyl-3-[2-(4-azanylbutanoylamino)ethanoylamino]-2-(phenylsulfonyl)propanoic acid Openeye Name: 2-amino-3-[[2-(4-aminobutanoylamino)acetyl]amino]-2-(benzenesulfonyl)propanoic acid CAS Name: 2-amino-3-[[2-[(4-amino-1-oxobutyl)amino]-1-oxoethyl]amino]-2-(benzenesulfonyl)propanoic acid IUPAC Name: 2-amino-3-[[2-(4-aminobutanoylamino)acetyl]amino]-2-(benzenesulfonyl)propanoic acid Traditional Name: 2-amino-3-[[2-(4-aminobutanoylamino)acetyl]amino]-2-besyl-propionic acid Formula: C15H22N4O6S MolecularWeight: 386.42338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)CNC(=O)CCCN)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)CNC(=O)CCCN)(C(=O)O)N

InChI

InChI=1S/C15H22N4O6S/c16-8-4-7-12(20)18-9-13(21)19-10-15(17,14(22)23)26(24,25)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,16-17H2,(H,18,20)(H,19,21)(H,22,23)