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

Systemtic Name: (3S)-4-[(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]-3-[[4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[(2S)-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]carbamoyl]pyrrolidin-1-yl]-3-[[2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[(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]-3-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[(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]-3-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[(2S)-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]carbamoyl]pyrrolidino]-3-[[2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C37H60N10O12S MolecularWeight: 868.9971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NO)C(=O)NC(CC(=O)O)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](CC(=O)O)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/C37H60N10O12S/c1-20(2)14-21(15-28(49)46-59)34(55)43-23(16-31(52)53)36(57)47-13-7-9-25(47)35(56)41-17-29(50)40-18-30(51)42-22(33(38)54)8-5-6-12-39-27(48)11-4-3-10-26-32-24(19-60-26)44-37(58)45-32/h20-26,32,59H,3-19H2,1-2H3,(H2,38,54)(H,39,48)(H,40,50)(H,41,56)(H,42,51)(H,43,55)(H,46,49)(H,52,53)(H2,44,45,58)/t21?,22-,23-,24-,25-,26-,32-/m0/s1