5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]pentanoic acid

Systemtic Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]pentanoic acid Openeye Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(p-tolylsulfonyl)amino]pentanoic acid CAS Name: 5-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]pentanoic acid IUPAC Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]pentanoic acid Traditional Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(tosyl)amino]valeric acid Formula: C31H36N2O6S MolecularWeight: 564.69234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C31H36N2O6S/c1-21(2)19-33(40(37,38)23-16-14-22(3)15-17-23)29(30(34)35)13-8-18-32-31(36)39-20-28-26-11-6-4-9-24(26)25-10-5-7-12-27(25)28/h4-7,9-12,14-17,21,28-29H,8,13,18-20H2,1-3H3,(H,32,36)(H,34,35)