(phenylmethyl) (2S)-4-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (2S)-4-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-4-[[(1S,2R,3S)-1-[(1,2,3,4,5,6-hexatritiocyclohexyl)methyl]-2,3-dihydroxy-5-methyl-hexyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-[[(1S,2R,3S)-1-[(1,2,3,4,5,6-hexatritiocyclohexyl)methyl]-2,3-dihydroxy-5-methyl-hexyl]amino]-4-keto-butyric acid benzyl ester Formula: C30H48N2O7 MolecularWeight: 560.759976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O

Isomeric SMILES

[3H]C1C(C(C(C(C1[3H])[3H])([3H])C[C@@H]([C@H]([C@H](CC(C)C)O)O)NC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)[3H])[3H]

InChI

InChI=1S/C30H48N2O7/c1-20(2)16-25(33)27(35)23(17-21-12-8-6-9-13-21)31-26(34)18-24(32-29(37)39-30(3,4)5)28(36)38-19-22-14-10-7-11-15-22/h7,10-11,14-15,20-21,23-25,27,33,35H,6,8-9,12-13,16-19H2,1-5H3,(H,31,34)(H,32,37)/t23-,24-,25-,27+/m0/s1/i6T,8T,9T,12T,13T,21T/t6?,8?,9?,12?,13?,21?,23-,24-,25-,27+