N-[(2S)-1-[(2S)-2-[[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]carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide

Systemtic Name: N-[(2S)-1-[(2S)-2-[[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]carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-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]-1-[(2S)-5-guanidino-2-[[2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(2S)-1-[(2S)-2-[[[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]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide IUPAC Name: N-[(2S)-1-[(2S)-2-[[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]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-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]-1-[(2S)-5-guanidino-2-[[2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide Formula: C39H67N13O10S MolecularWeight: 910.09538

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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)N1CCCC1C(=O)NCC(=O)NCC(=O)NC(CCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)C(=O)N

Isomeric SMILES

CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)N

InChI

InChI=1S/C39H67N13O10S/c1-22(2)17-23(18-30(54)51-62)35(58)48-25(10-7-15-44-38(41)42)37(60)52-16-8-11-27(52)36(59)46-19-31(55)45-20-32(56)47-24(34(40)57)9-5-6-14-43-29(53)13-4-3-12-28-33-26(21-63-28)49-39(61)50-33/h22-28,33,62H,3-21H2,1-2H3,(H2,40,57)(H,43,53)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,51,54)(H4,41,42,44)(H2,49,50,61)/t23?,24-,25-,26-,27-,28-,33-/m0/s1