N-[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide

Systemtic Name: N-[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide Openeye Name: (2S)-N-[2-[[2-[[(1S)-5-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-carbamoyl-pentyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-[[(2S)-5-amino-2-[[2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]pentanediamide CAS Name: N-[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide IUPAC Name: N-[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide Traditional Name: (2S)-N-[2-[[2-[[(1S)-5-[5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]-1-carbamoyl-pentyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]-2-[[(2S)-5-amino-2-[[2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]glutaramide Formula: C38H64N12O12S MolecularWeight: 913.05296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NCC(=O)NC(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)N

Isomeric SMILES

CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N

InChI

InChI=1S/C38H64N12O12S/c1-20(2)15-21(16-30(54)50-62)35(58)46-24(11-13-28(40)52)37(60)47-23(10-12-27(39)51)36(59)44-17-31(55)43-18-32(56)45-22(34(41)57)7-5-6-14-42-29(53)9-4-3-8-26-33-25(19-63-26)48-38(61)49-33/h20-26,33,62H,3-19H2,1-2H3,(H2,39,51)(H2,40,52)(H2,41,57)(H,42,53)(H,43,55)(H,44,59)(H,45,56)(H,46,58)(H,47,60)(H,50,54)(H2,48,49,61)/t21?,22-,23-,24-,25-,26-,33-/m0/s1