prop-2-enyl N-[(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]carbamate

Systemtic Name: prop-2-enyl N-[(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]carbamate Openeye Name: allyl N-[(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]carbamate CAS Name: N-[(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]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[(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]carbamate Traditional Name: N-[(3R,5S)-5-[[(1S)-1-formylpropyl]carbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazinoylamino)butanoyl]amino]butanoyl]pyrrolidin-3-yl]carbamic acid allyl ester Formula: C28H41N7O7 MolecularWeight: 587.66784

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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)NC(=O)OCC=C

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)NC(=O)OCC=C

InChI

InChI=1S/C28H41N7O7/c1-7-11-42-28(41)32-19-12-21(25(38)31-18(8-2)15-36)35(14-19)27(40)23(17(5)6)34-26(39)22(16(3)4)33-24(37)20-13-29-9-10-30-20/h7,9-10,13,15-19,21-23H,1,8,11-12,14H2,2-6H3,(H,31,38)(H,32,41)(H,33,37)(H,34,39)/t18-,19+,21-,22-,23-/m0/s1