[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[[6-[(2S,4S)-1-[(2S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentan-2-yl]oxy-6-oxidanylidene-hexyl]carbamoyl]benzoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[[6-[(2S,4S)-1-[(2S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentan-2-yl]oxy-6-oxidanylidene-hexyl]carbamoyl]benzoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) 4-[[6-[(1S,3S)-3-benzyl-1-[[(2S)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethyl)piperazin-1-yl]methyl]-4-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-4-oxo-butoxy]-6-oxo-hexyl]carbamoyl]benzoate CAS Name: 4-[[[6-[(2S,4S)-1-[(2S)-2-[(tert-butylamino)-oxomethyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentan-2-yl]oxy-6-oxohexyl]amino]-oxomethyl]benzoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[[6-[(2S,4S)-4-benzyl-1-[(2S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentan-2-yl]oxy-6-oxohexyl]carbamoyl]benzoate Traditional Name: 4-[[6-[(1S,3S)-3-benzyl-1-[[(2S)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethyl)piperazino]methyl]-4-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-4-keto-butoxy]-6-keto-hexyl]carbamoyl]benzoic acid succinimido ester Formula: C54H65N7O10 MolecularWeight: 972.1348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)OC(=O)CCCCCNC(=O)C5=CC=C(C=C5)C(=O)ON6C(=O)CCC6=O)CC7=CN=CC=C7

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)OC(=O)CCCCCNC(=O)C5=CC=C(C=C5)C(=O)ON6C(=O)CCC6=O)CC7=CN=CC=C7

InChI

InChI=1S/C54H65N7O10/c1-54(2,3)58-52(68)44-35-59(33-37-15-12-25-55-32-37)27-28-60(44)34-42(30-41(29-36-13-6-4-7-14-36)51(67)57-49-43-17-10-9-16-40(43)31-45(49)62)70-48(65)18-8-5-11-26-56-50(66)38-19-21-39(22-20-38)53(69)71-61-46(63)23-24-47(61)64/h4,6-7,9-10,12-17,19-22,25,32,41-42,44-45,49,62H,5,8,11,18,23-24,26-31,33-35H2,1-3H3,(H,56,66)(H,57,67)(H,58,68)/t41-,42-,44-,45+,49-/m0/s1