3-phenylpropyl 5-oxidanylidene-5-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C26H32N4O5S/c31-22(27-19-21-11-5-2-6-12-21)16-17-24(33)29-30-26(36)28-23(32)14-7-15-25(34)35-18-8-13-20-9-3-1-4-10-20/h1-6,9-12H,7-8,13-19H2,(H,27,31)(H,29,33)(H2,28,30,32,36)