tert-butyl N-[(5S)-6-[2-[5-[(3aR,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-methyl-amino]ethyl-methyl-amino]-5-azanyl-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-6-[2-[5-[(3aR,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-methyl-amino]ethyl-methyl-amino]-5-azanyl-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-6-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-methyl-amino]ethyl-methyl-amino]-5-amino-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-6-[2-[[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-methylamino]ethyl-methylamino]-5-amino-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-6-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-methylamino]ethyl-methylamino]-5-amino-6-oxohexyl]carbamate Traditional Name: N-[(5S)-6-[2-[5-[(3aR,4R,6aS)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoyl-methyl-amino]ethyl-methyl-amino]-5-amino-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C25H46N6O5S MolecularWeight: 542.73494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)N(C)CCN(C)C(=O)CCCCC1C2C(CS1)NC(=O)N2)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N(C)CCN(C)C(=O)CCCC[C@@H]1[C@H]2[C@@H](CS1)NC(=O)N2)N

InChI

InChI=1S/C25H46N6O5S/c1-25(2,3)36-24(35)27-13-9-8-10-17(26)22(33)31(5)15-14-30(4)20(32)12-7-6-11-19-21-18(16-37-19)28-23(34)29-21/h17-19,21H,6-16,26H2,1-5H3,(H,27,35)(H2,28,29,34)/t17-,18+,19+,21+/m0/s1