(3S)-4-[[(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]-3-[[4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(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]-3-[[4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(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]amino]-3-[[2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(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]-3-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(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]-3-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(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]amino]-3-[[2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C38H64N10O12S MolecularWeight: 885.03956

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

InChI

InChI=1S/C38H64N10O12S/c1-5-21(4)32(46-36(57)24(16-31(53)54)44-35(56)22(14-20(2)3)15-28(50)48-60)37(58)42-17-29(51)41-18-30(52)43-23(34(39)55)10-8-9-13-40-27(49)12-7-6-11-26-33-25(19-61-26)45-38(59)47-33/h20-26,32-33,60H,5-19H2,1-4H3,(H2,39,55)(H,40,49)(H,41,51)(H,42,58)(H,43,52)(H,44,56)(H,46,57)(H,48,50)(H,53,54)(H2,45,47,59)/t21-,22?,23-,24-,25-,26-,32-,33-/m0/s1