(2R)-3-[2-(7-azanylheptanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: (2R)-3-[2-(7-azanylheptanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: (2R)-3-[[2-(7-aminoheptanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: (2R)-3-[[2-[(7-amino-1-oxoheptyl)amino]-1-oxoethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: (2R)-3-[[2-(7-aminoheptanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: (2R)-3-[[2-(7-aminoheptanoylamino)acetyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S/c19-11-7-2-1-6-10-16(23)21-13-17(24)20-12-15(18(25)26)22-29(27,28)14-8-4-3-5-9-14/h3-5,8-9,15,22H,1-2,6-7,10-13,19H2,(H,20,24)(H,21,23)(H,25,26)/t15-/m1/s1