methyl (2S)-2-[[(2S)-5-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-5-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-[[(2S)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylene]amino]-2-(tert-butoxycarbonylamino)pentanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2S)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-[[(2S)-5-[[amino-(mesitylsulfonylamino)methylene]amino]-2-(tert-butoxycarbonylamino)pentanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid methyl ester Formula: C35H52N6O9S MolecularWeight: 732.88718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCCC(C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC)NC(=O)OC(C)(C)C)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC)NC(=O)OC(C)(C)C)N)C

InChI

InChI=1S/C35H52N6O9S/c1-23-20-24(2)29(25(3)21-23)51(46,47)41-32(36)37-19-13-17-27(40-34(45)50-35(4,5)6)30(42)39-28(31(43)48-7)16-11-12-18-38-33(44)49-22-26-14-9-8-10-15-26/h8-10,14-15,20-21,27-28H,11-13,16-19,22H2,1-7H3,(H,38,44)(H,39,42)(H,40,45)(H3,36,37,41)/t27-,28-/m0/s1