(2S,5S)-7-(3-chlorophenyl)-N-[(3S)-1-(cyclopropylamino)-1,2-bis(oxidanylidene)hexan-3-yl]-3-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide

Systemtic Name: (2S,5S)-7-(3-chlorophenyl)-N-[(3S)-1-(cyclopropylamino)-1,2-bis(oxidanylidene)hexan-3-yl]-3-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide Openeye Name: (2S,5S)-7-(3-chlorophenyl)-N-[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]-3-(2-oxo-1-phenyl-pyrrolidine-3-carbonyl)-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide CAS Name: (2S,5S)-7-(3-chlorophenyl)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[oxo-(2-oxo-1-phenyl-3-pyrrolidinyl)methyl]-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide IUPAC Name: (2S,5S)-7-(3-chlorophenyl)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-(2-oxo-1-phenylpyrrolidine-3-carbonyl)-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide Traditional Name: (2S,5S)-7-(3-chlorophenyl)-N-[(1S)-1-[2-(cyclopropylamino)-2-keto-acetyl]butyl]-3-(2-keto-1-phenyl-pyrrolidine-3-carbonyl)-9-oxa-3,8-diazaspiro[4.4]non-7-ene-2-carboxamide Formula: C33H36ClN5O6 MolecularWeight: 634.12184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3(CC(=NO3)C4=CC(=CC=C4)Cl)CN2C(=O)C5CCN(C5=O)C6=CC=CC=C6

Isomeric SMILES

CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2C[C@]3(CC(=NO3)C4=CC(=CC=C4)Cl)CN2C(=O)C5CCN(C5=O)C6=CC=CC=C6

InChI

InChI=1S/C33H36ClN5O6/c1-2-7-25(28(40)30(42)35-22-12-13-22)36-29(41)27-18-33(17-26(37-45-33)20-8-6-9-21(34)16-20)19-39(27)32(44)24-14-15-38(31(24)43)23-10-4-3-5-11-23/h3-6,8-11,16,22,24-25,27H,2,7,12-15,17-19H2,1H3,(H,35,42)(H,36,41)/t24?,25-,27-,33+/m0/s1