(phenylmethyl) N-[3-methylpentylsulfonyl-[2-oxidanylidene-1-phenoxy-7-(phenylmethoxycarbonylamino)heptan-3-yl]amino]carbamate

Systemtic Name: (phenylmethyl) N-[3-methylpentylsulfonyl-[2-oxidanylidene-1-phenoxy-7-(phenylmethoxycarbonylamino)heptan-3-yl]amino]carbamate Openeye Name: benzyl N-[5-[benzyloxycarbonylamino(3-methylpentylsulfonyl)amino]-6-oxo-7-phenoxy-heptyl]carbamate CAS Name: N-[3-methylpentylsulfonyl-[2-oxo-1-phenoxy-7-(phenylmethoxycarbonylamino)heptan-3-yl]amino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-methylpentylsulfonyl-[2-oxo-1-phenoxy-7-(phenylmethoxycarbonylamino)heptan-3-yl]amino]carbamate Traditional Name: N-[5-[benzyloxycarbonylamino(3-methylpentylsulfonyl)amino]-6-keto-7-phenoxy-heptyl]carbamic acid benzyl ester Formula: C35H45N3O8S MolecularWeight: 667.8121

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCS(=O)(=O)N(C(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)COC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)CCS(=O)(=O)N(C(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)COC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C35H45N3O8S/c1-3-28(2)22-24-47(42,43)38(37-35(41)46-26-30-17-9-5-10-18-30)32(33(39)27-44-31-19-11-6-12-20-31)21-13-14-23-36-34(40)45-25-29-15-7-4-8-16-29/h4-12,15-20,28,32H,3,13-14,21-27H2,1-2H3,(H,36,40)(H,37,41)