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

Systemtic Name: tert-butyl N-[(2S)-1-[[2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-1-ethylsulfanyl-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-1-ethylsulfanyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-(ethylthio)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-ethylsulfanyl-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-1-(ethylthio)-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C32H53N3O6S MolecularWeight: 607.84472

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(=O)NC(CC1CCCCC1)C(C(CC(C)C)O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H53N3O6S/c1-7-42-30(29(39)33-24(19-22-14-10-8-11-15-22)27(37)26(36)18-21(2)3)35-28(38)25(20-23-16-12-9-13-17-23)34-31(40)41-32(4,5)6/h9,12-13,16-17,21-22,24-27,30,36-37H,7-8,10-11,14-15,18-20H2,1-6H3,(H,33,39)(H,34,40)(H,35,38)/t24-,25-,26-,27+,30?/m0/s1