tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-6-(2,2-dimethylpropylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-pentan-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-6-(2,2-dimethylpropylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-methyl-amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-1-[[(1S,2S,4R)-1-(cyclohexylmethyl)-5-(2,2-dimethylpropylamino)-2-hydroxy-4-methyl-5-oxo-pentyl]carbamoyl]butyl]-methyl-amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-6-(2,2-dimethylpropylamino)-3-hydroxy-5-methyl-6-oxohexan-2-yl]amino]-1-oxopentan-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-6-(2,2-dimethylpropylamino)-3-hydroxy-5-methyl-6-oxohexan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-1-[[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-5-keto-4-methyl-5-(neopentylamino)pentyl]carbamoyl]butyl]-methyl-amino]-2-keto-1-p-anisyl-ethyl]carbamic acid tert-butyl ester Formula: C39H66N4O7 MolecularWeight: 702.96394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1CCCCC1)C(CC(C)C(=O)NCC(C)(C)C)O)N(C)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C)C(=O)NCC(C)(C)C)O)N(C)C(=O)[C@H](CC2=CC=C(C=C2)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H66N4O7/c1-11-15-32(43(9)36(47)31(42-37(48)50-39(6,7)8)24-28-18-20-29(49-10)21-19-28)35(46)41-30(23-27-16-13-12-14-17-27)33(44)22-26(2)34(45)40-25-38(3,4)5/h18-21,26-27,30-33,44H,11-17,22-25H2,1-10H3,(H,40,45)(H,41,46)(H,42,48)/t26-,30+,31+,32+,33+/m1/s1