(2R)-3-[2-(6-azanylhexanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: (2R)-3-[2-(6-azanylhexanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: (2R)-3-[[2-(6-aminohexanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: (2R)-3-[[2-[(6-amino-1-oxohexyl)amino]-1-oxoethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: (2R)-3-[[2-(6-aminohexanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: (2R)-3-[[2-(6-aminohexanoylamino)acetyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C17H26N4O6S MolecularWeight: 414.47654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O6S/c18-10-6-2-5-9-15(22)20-12-16(23)19-11-14(17(24)25)21-28(26,27)13-7-3-1-4-8-13/h1,3-4,7-8,14,21H,2,5-6,9-12,18H2,(H,19,23)(H,20,22)(H,24,25)/t14-/m1/s1