tert-butyl 2-[[5-azanyl-2-(2-methylsulfonylethoxycarbonylamino)-5-oxidanylidene-pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: tert-butyl 2-[[5-azanyl-2-(2-methylsulfonylethoxycarbonylamino)-5-oxidanylidene-pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: tert-butyl 2-[[5-amino-2-(2-methylsulfonylethoxycarbonylamino)-5-oxo-pentanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: 2-[[5-amino-2-[[2-methylsulfonylethoxy(oxo)methyl]amino]-1,5-dioxopentyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-amino-2-(2-methylsulfonylethoxycarbonylamino)-5-oxopentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-[[5-amino-5-keto-2-(2-mesylethoxycarbonylamino)pentanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid tert-butyl ester Formula: C27H42N4O10S MolecularWeight: 614.70818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)OCCS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C27H42N4O10S/c1-27(2,3)41-24(34)21(12-8-9-15-29-25(35)40-18-19-10-6-5-7-11-19)30-23(33)20(13-14-22(28)32)31-26(36)39-16-17-42(4,37)38/h5-7,10-11,20-21H,8-9,12-18H2,1-4H3,(H2,28,32)(H,29,35)(H,30,33)(H,31,36)