(2S,5S)-N-[(2S)-4-azanyl-1-cyclopropyl-3,4-bis(oxidanylidene)butan-2-yl]-7-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[(2S)-2-(2-cycloheptylethanoylamino)-3,3-dimethyl-butanoyl]-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide

Systemtic Name: (2S,5S)-N-[(2S)-4-azanyl-1-cyclopropyl-3,4-bis(oxidanylidene)butan-2-yl]-7-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[(2S)-2-(2-cycloheptylethanoylamino)-3,3-dimethyl-butanoyl]-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide Openeye Name: (2S,5S)-N-[(1S)-3-amino-1-(cyclopropylmethyl)-2,3-dioxo-propyl]-7-(5-chloro-2,4-dimethoxy-phenyl)-3-[(2S)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethyl-butanoyl]-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide CAS Name: (2S,5S)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-7-(5-chloro-2,4-dimethoxyphenyl)-3-[(2S)-2-[(2-cycloheptyl-1-oxoethyl)amino]-3,3-dimethyl-1-oxobutyl]-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide IUPAC Name: (2S,5S)-N-[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]-7-(5-chloro-2,4-dimethoxyphenyl)-3-[(2S)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoyl]-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide Traditional Name: (2S,5S)-N-[(1S)-3-amino-1-(cyclopropylmethyl)-2,3-diketo-propyl]-7-(5-chloro-2,4-dimethoxy-phenyl)-3-[(2S)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethyl-butanoyl]-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide Formula: C37H52ClN5O8 MolecularWeight: 730.29048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CC3)C(=O)C(=O)N)CC(=NO2)C4=CC(=C(C=C4OC)OC)Cl)NC(=O)CC5CCCCCC5

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@H](CC3CC3)C(=O)C(=O)N)CC(=NO2)C4=CC(=C(C=C4OC)OC)Cl)NC(=O)CC5CCCCCC5

InChI

InChI=1S/C37H52ClN5O8/c1-36(2,3)32(41-30(44)15-21-10-8-6-7-9-11-21)35(48)43-20-37(18-26(42-51-37)23-16-24(38)29(50-5)17-28(23)49-4)19-27(43)34(47)40-25(14-22-12-13-22)31(45)33(39)46/h16-17,21-22,25,27,32H,6-15,18-20H2,1-5H3,(H2,39,46)(H,40,47)(H,41,44)/t25-,27-,32+,37+/m0/s1