3-phenylpropyl 5-oxidanylidene-5-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[[4-(valerylamino)benzoyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C27H34N4O5S/c1-2-3-12-23(32)28-22-17-15-21(16-18-22)26(35)30-31-27(37)29-24(33)13-7-14-25(34)36-19-8-11-20-9-5-4-6-10-20/h4-6,9-10,15-18H,2-3,7-8,11-14,19H2,1H3,(H,28,32)(H,30,35)(H2,29,31,33,37)