3-methylbutyl 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: 3-methylbutyl 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: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C26H39N5O5S MolecularWeight: 533.68336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CNC(C1CCCCC1)C(=O)N2CC=CC2C(=O)NCC3=CC=C(S3)C(=NO)N

Isomeric SMILES

CC(C)CCOC(=O)CN[C@@H](C1CCCCC1)C(=O)N2CC=CC2C(=O)NCC3=CC=C(S3)/C(=N/O)/N

InChI

InChI=1S/C26H39N5O5S/c1-17(2)12-14-36-22(32)16-28-23(18-7-4-3-5-8-18)26(34)31-13-6-9-20(31)25(33)29-15-19-10-11-21(37-19)24(27)30-35/h6,9-11,17-18,20,23,28,35H,3-5,7-8,12-16H2,1-2H3,(H2,27,30)(H,29,33)/t20?,23-/m0/s1