3-[2-[3-(3-methoxypropylamino)-2-oxidanylidene-pyrazin-1-yl]butanoylamino]-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 3-[2-[3-(3-methoxypropylamino)-2-oxidanylidene-pyrazin-1-yl]butanoylamino]-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 5-benzylsulfanyl-3-[2-[3-(3-methoxypropylamino)-2-oxo-pyrazin-1-yl]butanoylamino]-4-oxo-pentanoic acid CAS Name: 3-[[2-[3-(3-methoxypropylamino)-2-oxo-1-pyrazinyl]-1-oxobutyl]amino]-4-oxo-5-(phenylmethylthio)pentanoic acid IUPAC Name: 5-benzylsulfanyl-3-[2-[3-(3-methoxypropylamino)-2-oxopyrazin-1-yl]butanoylamino]-4-oxopentanoic acid Traditional Name: 5-(benzylthio)-4-keto-3-[2-[2-keto-3-(3-methoxypropylamino)pyrazin-1-yl]butanoylamino]valeric acid Formula: C24H32N4O6S MolecularWeight: 504.59908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1)N2C=CN=C(C2=O)NCCCOC

Isomeric SMILES

CCC(C(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1)N2C=CN=C(C2=O)NCCCOC

InChI

InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7-13-34-2)23(32)27-18(14-21(30)31)20(29)16-35-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,18-19H,3,7,10,13-16H2,1-2H3,(H,25,26)(H,27,32)(H,30,31)