tert-butyl (2S)-2-[[(2S)-1-[(1R,4S,5S)-4-[[4-azanyl-1-cyclobutyl-3,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-6,6-bis(chloranyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-1-[(1R,4S,5S)-4-[[4-azanyl-1-cyclobutyl-3,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-6,6-bis(chloranyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(1S)-1-[(1R,4S,5S)-4-[[3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamoylamino]-3,3-dimethyl-butanoate CAS Name: (2S)-2-[[[[(2S)-1-[(1R,4S,5S)-4-[[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-oxomethyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxomethyl]amino]-3,3-dimethylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-1-[(1R,4S,5S)-4-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate Traditional Name: (2S)-2-[[(1S)-1-[(1R,4S,5S)-4-[[3-amino-1-(cyclobutylmethyl)-2,3-diketo-propyl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamoylamino]-3,3-dimethyl-butyric acid tert-butyl ester Formula: C31H49Cl2N5O7 MolecularWeight: 674.65606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2C(C1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(Cl)Cl)NC(=O)NC(C(=O)OC(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(Cl)Cl)NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)(C)C

InChI

InChI=1S/C31H49Cl2N5O7/c1-28(2,3)21(36-27(44)37-22(29(4,5)6)26(43)45-30(7,8)9)25(42)38-14-16-18(31(16,32)33)19(38)24(41)35-17(20(39)23(34)40)13-15-11-10-12-15/h15-19,21-22H,10-14H2,1-9H3,(H2,34,40)(H,35,41)(H2,36,37,44)/t16-,17?,18-,19-,21+,22+/m0/s1