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

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-3-(4-oxidanylidenepentylamino)pyrazin-1-yl]butanoylamino]-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 5-benzylsulfanyl-4-oxo-3-[2-[2-oxo-3-(4-oxopentylamino)pyrazin-1-yl]butanoylamino]pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-(4-oxopentylamino)-1-pyrazinyl]butyl]amino]-5-(phenylmethylthio)pentanoic acid IUPAC Name: 5-benzylsulfanyl-4-oxo-3-[2-[2-oxo-3-(4-oxopentylamino)pyrazin-1-yl]butanoylamino]pentanoic acid Traditional Name: 5-(benzylthio)-4-keto-3-[2-[2-keto-3-(4-ketopentylamino)pyrazin-1-yl]butanoylamino]valeric acid Formula: C25H32N4O6S MolecularWeight: 516.60978

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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)NCCCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O6S/c1-3-20(29-13-12-27-23(25(29)35)26-11-7-8-17(2)30)24(34)28-19(14-22(32)33)21(31)16-36-15-18-9-5-4-6-10-18/h4-6,9-10,12-13,19-20H,3,7-8,11,14-16H2,1-2H3,(H,26,27)(H,28,34)(H,32,33)