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

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-3-(2-oxidanylidenepropylamino)pyrazin-1-yl]butanoylamino]-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 3-[2-[3-(acetonylamino)-2-oxo-pyrazin-1-yl]butanoylamino]-5-benzylsulfanyl-4-oxo-pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-(2-oxopropylamino)-1-pyrazinyl]butyl]amino]-5-(phenylmethylthio)pentanoic acid IUPAC Name: 5-benzylsulfanyl-4-oxo-3-[2-[2-oxo-3-(2-oxopropylamino)pyrazin-1-yl]butanoylamino]pentanoic acid Traditional Name: 3-[2-[3-(acetonylamino)-2-keto-pyrazin-1-yl]butanoylamino]-5-(benzylthio)-4-keto-valeric acid Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6S/c1-3-18(27-10-9-24-21(23(27)33)25-12-15(2)28)22(32)26-17(11-20(30)31)19(29)14-34-13-16-7-5-4-6-8-16/h4-10,17-18H,3,11-14H2,1-2H3,(H,24,25)(H,26,32)(H,30,31)