[(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-(pentan-3-yldisulfanyl)pent-3-enyl] 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoate

Systemtic Name: [(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-(pentan-3-yldisulfanyl)pent-3-enyl] 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoate Openeye Name: [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-(1-ethylpropyldisulfanyl)pent-3-enyl] 3-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoate CAS Name: 3-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]propanoic acid [(E)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-(pentan-3-yldisulfanyl)pent-3-enyl] ester IUPAC Name: [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(pentan-3-yldisulfanyl)pent-3-enyl] 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoate Traditional Name: 3-(naphthionylamino)propionic acid [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-(1-ethylpropyldisulfanyl)pent-3-enyl] ester Formula: C32H44N6O5S3 MolecularWeight: 688.92396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SSC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCOC(=O)CCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CCC(CC)SS/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCOC(=O)CCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C32H44N6O5S3/c1-7-25(8-2)44-45-29(22(3)38(21-39)20-24-19-34-23(4)36-32(24)33)16-18-43-31(40)15-17-35-46(41,42)30-14-10-11-26-27(30)12-9-13-28(26)37(5)6/h9-14,19,21,25,35H,7-8,15-18,20H2,1-6H3,(H2,33,34,36)/b29-22+