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

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-3-(2-pyrazol-1-ylethylamino)pyrazin-1-yl]butanoylamino]-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 5-benzylsulfanyl-4-oxo-3-[2-[2-oxo-3-(2-pyrazol-1-ylethylamino)pyrazin-1-yl]butanoylamino]pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-[2-(1-pyrazolyl)ethylamino]-1-pyrazinyl]butyl]amino]-5-(phenylmethylthio)pentanoic acid IUPAC Name: 5-benzylsulfanyl-4-oxo-3-[2-[2-oxo-3-(2-pyrazol-1-ylethylamino)pyrazin-1-yl]butanoylamino]pentanoic acid Traditional Name: 5-(benzylthio)-4-keto-3-[2-[2-keto-3-(2-pyrazol-1-ylethylamino)pyrazin-1-yl]butanoylamino]valeric acid Formula: C25H30N6O5S MolecularWeight: 526.6079

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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)NCCN3C=CC=N3

Isomeric SMILES

CCC(C(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1)N2C=CN=C(C2=O)NCCN3C=CC=N3

InChI

InChI=1S/C25H30N6O5S/c1-2-20(31-14-11-27-23(25(31)36)26-10-13-30-12-6-9-28-30)24(35)29-19(15-22(33)34)21(32)17-37-16-18-7-4-3-5-8-18/h3-9,11-12,14,19-20H,2,10,13,15-17H2,1H3,(H,26,27)(H,29,35)(H,33,34)