N-[(2S)-1-[[(2S,3S)-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]-3-methyl-1-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,3S)-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]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide Openeye Name: (2S)-N-[(1S,2S)-1-[[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]carbamoyl]-2-methyl-butyl]-2-[[2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]pentanediamide CAS Name: N-[(2S)-1-[[(2S,3S)-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]-3-methyl-1-oxopentan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide IUPAC Name: N-[(2S)-1-[[(2S,3S)-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]-3-methyl-1-oxopentan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide Traditional Name: (2S)-N-[(1S,2S)-1-[[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]carbamoyl]-2-methyl-butyl]-2-[[2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]amino]glutaramide Formula: C39H67N11O11S MolecularWeight: 898.08138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](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)NC(=O)[C@H](CCC(=O)N)NC(=O)C(CC(C)C)CC(=O)NO

InChI

InChI=1S/C39H67N11O11S/c1-5-22(4)33(48-37(58)25(13-14-28(40)51)46-36(57)23(16-21(2)3)17-30(53)50-61)38(59)44-18-31(54)43-19-32(55)45-24(35(41)56)10-8-9-15-42-29(52)12-7-6-11-27-34-26(20-62-27)47-39(60)49-34/h21-27,33-34,61H,5-20H2,1-4H3,(H2,40,51)(H2,41,56)(H,42,52)(H,43,54)(H,44,59)(H,45,55)(H,46,57)(H,48,58)(H,50,53)(H2,47,49,60)/t22-,23?,24-,25-,26-,27-,33-,34-/m0/s1