(2S)-3-[2-(7-azanylheptanoylamino)ethylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: (2S)-3-[2-(7-azanylheptanoylamino)ethylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: (2S)-3-[2-(7-aminoheptanoylamino)ethylamino]-2-(benzenesulfonamido)propanoic acid CAS Name: (2S)-3-[2-[(7-amino-1-oxoheptyl)amino]ethylamino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: (2S)-3-[2-(7-aminoheptanoylamino)ethylamino]-2-(benzenesulfonamido)propanoic acid Traditional Name: (2S)-3-[2-(7-aminoheptanoylamino)ethylamino]-2-(benzenesulfonamido)propionic acid Formula: C18H30N4O5S MolecularWeight: 414.5196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O5S/c19-11-7-2-1-6-10-17(23)21-13-12-20-14-16(18(24)25)22-28(26,27)15-8-4-3-5-9-15/h3-5,8-9,16,20,22H,1-2,6-7,10-14,19H2,(H,21,23)(H,24,25)/t16-/m0/s1