tert-butyl N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-1-oxidanylidene-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-1-oxidanylidene-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-oxo-1-(thiazol-4-ylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxo-3-(4-thiazolyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-keto-1-(thiazol-4-ylmethyl)ethyl]carbamic acid tert-butyl ester Formula: C25H43N3O5S MolecularWeight: 497.69102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC=N2)NC(=O)OC(C)(C)C)O)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CSC=N2)NC(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C25H43N3O5S/c1-16(2)11-21(29)22(30)19(12-17-9-7-6-8-10-17)27-23(31)20(13-18-14-34-15-26-18)28-24(32)33-25(3,4)5/h14-17,19-22,29-30H,6-13H2,1-5H3,(H,27,31)(H,28,32)/t19-,20-,21-,22+/m0/s1