(phenylmethyl) (3S)-4-[(2S,4S)-2-azanyl-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-pentyl]-3-(tert-butylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S)-4-[(2S,4S)-2-azanyl-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-pentyl]-3-(tert-butylcarbamoyl)piperazine-1-carboxylate Openeye Name: benzyl (3S)-4-[(2S,4S)-2-amino-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-4-[[4-(2-morpholinoethoxy)phenyl]methyl]-5-oxo-pentyl]-3-(tert-butylcarbamoyl)piperazine-1-carboxylate CAS Name: (3S)-4-[(2S,4S)-2-amino-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-5-oxopentyl]-3-[(tert-butylamino)-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-[(2S,4S)-2-amino-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-5-oxopentyl]-3-(tert-butylcarbamoyl)piperazine-1-carboxylate Traditional Name: (3S)-4-[(2S,4S)-2-amino-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-4-[4-(2-morpholinoethoxy)benzyl]pentyl]-3-(tert-butylcarbamoyl)piperazine-1-carboxylic acid benzyl ester Formula: C44H60N6O7 MolecularWeight: 784.9832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)NC4C(CC5=CC=CC=C45)O)N)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)N)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C44H60N6O7/c1-44(2,3)47-42(53)38-29-50(43(54)57-30-32-9-5-4-6-10-32)18-17-49(38)28-35(45)26-34(41(52)46-40-37-12-8-7-11-33(37)27-39(40)51)25-31-13-15-36(16-14-31)56-24-21-48-19-22-55-23-20-48/h4-16,34-35,38-40,51H,17-30,45H2,1-3H3,(H,46,52)(H,47,53)/t34-,35-,38-,39+,40-/m0/s1