2-adamantyl 2-[[(1S)-1-cyclohexyl-2-[2-[[5-[(Z)-N'-oxidanylcarbamimidoyl]thiophen-2-yl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: 2-adamantyl 2-[[(1S)-1-cyclohexyl-2-[2-[[5-[(Z)-N'-oxidanylcarbamimidoyl]thiophen-2-yl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: 2-adamantyl 2-[[(1S)-1-cyclohexyl-2-[2-[[5-[(Z)-N'-hydroxycarbamimidoyl]-2-thienyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-2-oxo-ethyl]amino]acetate CAS Name: 2-[[(1S)-2-[2-[[[5-[(Z)-amino(hydroxyimino)methyl]-2-thiophenyl]methylamino]-oxomethyl]-2,5-dihydropyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2-[[(1S)-1-cyclohexyl-2-[2-[[5-[(Z)-N'-hydroxycarbamimidoyl]thiophen-2-yl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-2-oxoethyl]amino]acetate Traditional Name: 2-[[(1S)-2-[2-[[5-[(Z)-aminocarbohydroximoyl]-2-thienyl]methylcarbamoyl]-3-pyrrolin-1-yl]-1-cyclohexyl-2-keto-ethyl]amino]acetic acid 2-adamantyl ester Formula: C31H43N5O5S MolecularWeight: 597.76862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CC=CC2C(=O)NCC3=CC=C(S3)C(=NO)N)NCC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)N2CC=CC2C(=O)NCC3=CC=C(S3)/C(=N/O)/N)NCC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H43N5O5S/c32-29(35-40)25-9-8-23(42-25)16-34-30(38)24-7-4-10-36(24)31(39)27(20-5-2-1-3-6-20)33-17-26(37)41-28-21-12-18-11-19(14-21)15-22(28)13-18/h4,7-9,18-22,24,27-28,33,40H,1-3,5-6,10-17H2,(H2,32,35)(H,34,38)/t18?,19?,21?,22?,24?,27-,28?/m0/s1