methyl 8-[[(Z)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl]disulfanyl]-6-ethanoylsulfanyl-octanoate

Systemtic Name: methyl 8-[[(Z)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl]disulfanyl]-6-ethanoylsulfanyl-octanoate Openeye Name: methyl 6-acetylsulfanyl-8-[[(Z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl]octanoate CAS Name: 6-(acetylthio)-8-[[(Z)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoic acid methyl ester IUPAC Name: methyl 6-acetylsulfanyl-8-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate Traditional Name: 6-(acetylthio)-8-[[(Z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl]caprylic acid methyl ester Formula: C23H36N4O5S3 MolecularWeight: 544.75074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCCC(CCCCC(=O)OC)SC(=O)C)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCO)\SSCCC(CCCCC(=O)OC)SC(=O)C)/C

InChI

InChI=1S/C23H36N4O5S3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26)/b21-16-