(2S)-N-[(2S,3R)-4-[2-[[(2S)-3-methyl-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: (2S)-N-[(2S,3R)-4-[2-[[(2S)-3-methyl-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: (2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[2-[[(1S)-2-methyl-1-[2-(2-pyridyl)ethylcarbamoyl]butyl]carbamoyl]pyrrolidin-1-yl]propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: (2S)-N-[(2S,3R)-3-hydroxy-4-[2-[[[(2S)-3-methyl-1-oxo-1-[2-(2-pyridinyl)ethylamino]pentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S,3R)-3-hydroxy-4-[2-[[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: (2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[2-[[(1S)-2-methyl-1-[2-(2-pyridyl)ethylcarbamoyl]butyl]carbamoyl]pyrrolidino]propyl]-2-(quinaldoylamino)succinamide Formula: C42H52N8O6 MolecularWeight: 764.91228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=N1)NC(=O)C2CCCN2CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCCC1=CC=CC=N1)NC(=O)C2CCCN2C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C42H52N8O6/c1-3-27(2)38(42(56)45-22-20-30-15-9-10-21-44-30)49-41(55)35-17-11-23-50(35)26-36(51)33(24-28-12-5-4-6-13-28)47-40(54)34(25-37(43)52)48-39(53)32-19-18-29-14-7-8-16-31(29)46-32/h4-10,12-16,18-19,21,27,33-36,38,51H,3,11,17,20,22-26H2,1-2H3,(H2,43,52)(H,45,56)(H,47,54)(H,48,53)(H,49,55)/t27?,33-,34-,35?,36+,38-/m0/s1