(1-adamantylmethoxycarbonylamino) 3-[[3-[3-(benzimidazol-1-ylamino)propyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-ethanoyl-amino]propanoate

Systemtic Name: (1-adamantylmethoxycarbonylamino) 3-[[3-[3-(benzimidazol-1-ylamino)propyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-ethanoyl-amino]propanoate Openeye Name: (1-adamantylmethoxycarbonylamino) 3-[acetyl-[3-[3-(benzimidazol-1-ylamino)propyl]-5-oxo-2-thioxo-imidazolidin-1-yl]amino]propanoate CAS Name: 3-[acetyl-[3-[3-(1-benzimidazolylamino)propyl]-5-oxo-2-sulfanylidene-1-imidazolidinyl]amino]propanoic acid [[1-adamantylmethoxy(oxo)methyl]amino] ester IUPAC Name: (1-adamantylmethoxycarbonylamino) 3-[acetyl-[3-[3-(benzimidazol-1-ylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]amino]propanoate Traditional Name: 3-[acetyl-[3-[3-(benzimidazol-1-ylamino)propyl]-5-keto-2-thioxo-imidazolidin-1-yl]amino]propionic acid (1-adamantylmethoxycarbonylamino) ester Formula: C30H39N7O6S MolecularWeight: 625.73896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC(=O)ONC(=O)OCC12CC3CC(C1)CC(C3)C2)N4C(=O)CN(C4=S)CCCNN5C=NC6=CC=CC=C65

Isomeric SMILES

CC(=O)N(CCC(=O)ONC(=O)OCC12CC3CC(C1)CC(C3)C2)N4C(=O)CN(C4=S)CCCNN5C=NC6=CC=CC=C65

InChI

InChI=1S/C30H39N7O6S/c1-20(38)36(10-7-27(40)43-33-28(41)42-18-30-14-21-11-22(15-30)13-23(12-21)16-30)37-26(39)17-34(29(37)44)9-4-8-32-35-19-31-24-5-2-3-6-25(24)35/h2-3,5-6,19,21-23,32H,4,7-18H2,1H3,(H,33,41)