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

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-3-(thiophen-2-ylmethylamino)pyrazin-1-yl]butanoylamino]-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 5-benzylsulfanyl-4-oxo-3-[2-[2-oxo-3-(2-thienylmethylamino)pyrazin-1-yl]butanoylamino]pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-(thiophen-2-ylmethylamino)-1-pyrazinyl]butyl]amino]-5-(phenylmethylthio)pentanoic acid IUPAC Name: 5-benzylsulfanyl-4-oxo-3-[2-[2-oxo-3-(thiophen-2-ylmethylamino)pyrazin-1-yl]butanoylamino]pentanoic acid Traditional Name: 5-(benzylthio)-4-keto-3-[2-[2-keto-3-(2-thenylamino)pyrazin-1-yl]butanoylamino]valeric acid Formula: C25H28N4O5S2 MolecularWeight: 528.64362

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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)NCC3=CC=CS3

Isomeric SMILES

CCC(C(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1)N2C=CN=C(C2=O)NCC3=CC=CS3

InChI

InChI=1S/C25H28N4O5S2/c1-2-20(29-11-10-26-23(25(29)34)27-14-18-9-6-12-36-18)24(33)28-19(13-22(31)32)21(30)16-35-15-17-7-4-3-5-8-17/h3-12,19-20H,2,13-16H2,1H3,(H,26,27)(H,28,33)(H,31,32)