(4S)-4-[(2-acetamido-4-oxidanylidene-pentanoyl)amino]-5-[[1-[[(2S)-1-[[1-[[(2S)-4,4-bis(fluoranyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[(2-acetamido-4-oxidanylidene-pentanoyl)amino]-5-[[1-[[(2S)-1-[[1-[[(2S)-4,4-bis(fluoranyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(2-acetamido-4-oxo-pentanoyl)amino]-5-[[1-benzhydryl-2-[[(1S)-1-[[2-[[(1S)-1-carboxy-3,3-difluoro-propyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[(2-acetamido-1,4-dioxopentyl)amino]-5-[[1-[[(2S)-1-[[3-cyclohexyl-1-[[(2S)-4,4-difluoro-1-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[(2-acetamido-4-oxopentanoyl)amino]-5-[[1-[[(2S)-1-[[3-cyclohexyl-1-[[(2S)-4,4-difluoro-1-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[(2-acetamido-4-keto-pentanoyl)amino]-5-[[1-benzhydryl-2-[[(1S)-1-[[2-[[(1S)-1-carboxy-3,3-difluoro-propyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C45H58F2N6O13 MolecularWeight: 928.971226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)NC(CC(F)F)C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)CC(C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)N[C@@H](CC(F)F)C(=O)O)NC(=O)C

InChI

InChI=1S/C45H58F2N6O13/c1-25(54)22-32(48-26(2)55)42(62)49-31(19-21-37(58)59)41(61)53-39(38(28-14-8-4-9-15-28)29-16-10-5-11-17-29)44(64)50-30(18-20-36(56)57)40(60)51-33(23-27-12-6-3-7-13-27)43(63)52-34(45(65)66)24-35(46)47/h4-5,8-11,14-17,27,30-35,38-39H,3,6-7,12-13,18-24H2,1-2H3,(H,48,55)(H,49,62)(H,50,64)(H,51,60)(H,52,63)(H,53,61)(H,56,57)(H,58,59)(H,65,66)/t30-,31-,32?,33?,34-,39?/m0/s1