tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-5-methyl-6-[[(2S)-2-methylbutyl]amino]-3-oxidanyl-6-oxidanylidene-hexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-5-methyl-6-[[(2S)-2-methylbutyl]amino]-3-oxidanyl-6-oxidanylidene-hexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-2-[[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-4-methyl-5-[[(2S)-2-methylbutyl]amino]-5-oxo-pentyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-methyl-amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-[[(2S)-2-methylbutyl]amino]-6-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-[[(2S)-2-methylbutyl]amino]-6-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-2-[[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-5-keto-4-methyl-5-[[(2S)-2-methylbutyl]amino]pentyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-methyl-amino]-2-keto-1-p-anisyl-ethyl]carbamic acid tert-butyl ester Formula: C40H64N6O7 MolecularWeight: 740.97216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C(C)CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=C(C=C3)OC)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC[C@H](C)CNC(=O)[C@H](C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=C(C=C3)OC)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C40H64N6O7/c1-9-26(2)23-42-36(48)27(3)19-35(47)32(20-28-13-11-10-12-14-28)44-37(49)34(22-30-24-41-25-43-30)46(7)38(50)33(45-39(51)53-40(4,5)6)21-29-15-17-31(52-8)18-16-29/h15-18,24-28,32-35,47H,9-14,19-23H2,1-8H3,(H,41,43)(H,42,48)(H,44,49)(H,45,51)/t26-,27+,32-,33-,34-,35-/m0/s1