[(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazin-2-ylcarbonylamino)butanoyl]amino]butanoyl]-5-[[(2S)-1-oxidanylidenebutan-2-yl]carbamoyl]pyrrolidin-3-yl] N-(3,4-dichlorophenyl)carbamate

Systemtic Name: [(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazin-2-ylcarbonylamino)butanoyl]amino]butanoyl]-5-[[(2S)-1-oxidanylidenebutan-2-yl]carbamoyl]pyrrolidin-3-yl] N-(3,4-dichlorophenyl)carbamate Openeye Name: [(3R,5S)-5-[[(1S)-1-formylpropyl]carbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]pyrrolidin-3-yl] N-(3,4-dichlorophenyl)carbamate CAS Name: N-(3,4-dichlorophenyl)carbamic acid [(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]butyl]amino]-1-oxobutyl]-5-[oxo-[[(2S)-1-oxobutan-2-yl]amino]methyl]-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]-5-[[(2S)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-3-yl] N-(3,4-dichlorophenyl)carbamate Traditional Name: N-(3,4-dichlorophenyl)carbamic acid [(3R,5S)-5-[[(1S)-1-formylpropyl]carbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazinoylamino)butanoyl]amino]butanoyl]pyrrolidin-3-yl] ester Formula: C31H39Cl2N7O7 MolecularWeight: 692.59006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)NC(=O)C1CC(CN1C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C2=NC=CN=C2)OC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C2=NC=CN=C2)OC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C31H39Cl2N7O7/c1-6-18(15-41)36-28(43)24-12-20(47-31(46)37-19-7-8-21(32)22(33)11-19)14-40(24)30(45)26(17(4)5)39-29(44)25(16(2)3)38-27(42)23-13-34-9-10-35-23/h7-11,13,15-18,20,24-26H,6,12,14H2,1-5H3,(H,36,43)(H,37,46)(H,38,42)(H,39,44)/t18-,20+,24-,25-,26-/m0/s1