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]morpholine-4-carboxamide

Systemtic Name: 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]morpholine-4-carboxamide Openeye Name: 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]morpholine-4-carboxamide 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]-4-morpholinecarboxamide IUPAC Name: 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]morpholine-4-carboxamide 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]morpholine-4-carboxamide Formula: C29H44N8O7 MolecularWeight: 616.70906

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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)N3CCOCC3

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)N3CCOCC3

InChI

InChI=1S/C29H44N8O7/c1-6-19(16-38)32-26(40)22-13-20(33-29(43)36-9-11-44-12-10-36)15-37(22)28(42)24(18(4)5)35-27(41)23(17(2)3)34-25(39)21-14-30-7-8-31-21/h7-8,14,16-20,22-24H,6,9-13,15H2,1-5H3,(H,32,40)(H,33,43)(H,34,39)(H,35,41)/t19-,20+,22-,23-,24-/m0/s1