(2S)-N-[(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]-3-methyl-1-oxidanylidene-butan-2-yl]-1-[4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(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]-3-methyl-1-oxidanylidene-butan-2-yl]-1-[4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-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-propyl]-1-[2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(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]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(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]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-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-propyl]-1-[2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C38H64N10O10S MolecularWeight: 853.04076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NO)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=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)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=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/C38H64N10O10S/c1-21(2)16-23(17-29(50)47-58)37(56)48-15-9-11-26(48)35(54)45-32(22(3)4)36(55)42-18-30(51)41-19-31(52)43-24(34(39)53)10-7-8-14-40-28(49)13-6-5-12-27-33-25(20-59-27)44-38(57)46-33/h21-27,32-33,58H,5-20H2,1-4H3,(H2,39,53)(H,40,49)(H,41,51)(H,42,55)(H,43,52)(H,45,54)(H,47,50)(H2,44,46,57)/t23?,24-,25-,26-,27-,32-,33-/m0/s1