(5S)-3-azanyl-5-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3,3-diphenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-[3,3-bis(fluoranyl)propyl]-6-cyclohexyl-2,4-bis(oxidanylidene)hexanoic acid

Systemtic Name: (5S)-3-azanyl-5-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3,3-diphenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-[3,3-bis(fluoranyl)propyl]-6-cyclohexyl-2,4-bis(oxidanylidene)hexanoic acid Openeye Name: (5S)-3-amino-5-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3,3-diphenyl-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-6-cyclohexyl-3-(3,3-difluoropropyl)-2,4-dioxo-hexanoic acid CAS Name: (5S)-3-amino-5-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxo-3,3-diphenylpropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-6-cyclohexyl-3-(3,3-difluoropropyl)-2,4-dioxohexanoic acid IUPAC Name: (5S)-3-amino-5-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3,3-diphenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-6-cyclohexyl-3-(3,3-difluoropropyl)-2,4-dioxohexanoic acid Traditional Name: (5S)-3-amino-5-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3,3-diphenyl-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-6-cyclohexyl-3-(3,3-difluoropropyl)-2,4-diketo-hexanoic acid Formula: C43H54F2N6O14 MolecularWeight: 916.917466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)C(CCC(F)F)(C(=O)C(=O)O)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)C(CCC(F)F)(C(=O)C(=O)O)N)NC(=O)[C@H](CC(=O)O)NC(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C43H54F2N6O14/c44-30(45)18-19-43(47,37(59)42(64)65)36(58)28(20-23-10-4-1-5-11-23)49-40(62)29(22-33(56)57)50-41(63)35(34(24-12-6-2-7-13-24)25-14-8-3-9-15-25)51-39(61)27(16-17-31(52)53)48-38(60)26(46)21-32(54)55/h2-3,6-9,12-15,23,26-30,34-35H,1,4-5,10-11,16-22,46-47H2,(H,48,60)(H,49,62)(H,50,63)(H,51,61)(H,52,53)(H,54,55)(H,56,57)(H,64,65)/t26-,27-,28-,29-,35?,43?/m0/s1