(2R)-3-[2-(5-azanylpentanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: (2R)-3-[2-(5-azanylpentanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: (2R)-3-[[2-(5-aminopentanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: (2R)-3-[[2-[(5-amino-1-oxopentyl)amino]-1-oxoethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: (2R)-3-[[2-(5-aminopentanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: (2R)-3-[[2-(5-aminopentanoylamino)acetyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C16H24N4O6S MolecularWeight: 400.44996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CNC(=O)CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N[C@H](CNC(=O)CNC(=O)CCCCN)C(=O)O

InChI

InChI=1S/C16H24N4O6S/c17-9-5-4-8-14(21)19-11-15(22)18-10-13(16(23)24)20-27(25,26)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11,17H2,(H,18,22)(H,19,21)(H,23,24)/t13-/m1/s1