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]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-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]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide Openeye Name: N-[(1S)-1-[[(1S)-2-[[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]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanamide 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]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-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]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide Traditional Name: N-[(1S)-1-[[(1S)-2-[[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]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-guanidino-butyl]-2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-valeramide Formula: C37H65N13O10S MolecularWeight: 884.0581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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](CCCN=C(N)N)NC(=O)C(CC(C)C)CC(=O)NO

InChI

InChI=1S/C37H65N13O10S/c1-20(2)15-22(16-28(52)50-60)34(57)47-24(10-8-14-42-36(39)40)35(58)45-21(3)33(56)44-17-29(53)43-18-30(54)46-23(32(38)55)9-6-7-13-41-27(51)12-5-4-11-26-31-25(19-61-26)48-37(59)49-31/h20-26,31,60H,4-19H2,1-3H3,(H2,38,55)(H,41,51)(H,43,53)(H,44,56)(H,45,58)(H,46,54)(H,47,57)(H,50,52)(H4,39,40,42)(H2,48,49,59)/t21-,22?,23-,24-,25-,26-,31-/m0/s1