(phenylmethyl) (4S)-5-(dicyclohexylamino)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-5-(dicyclohexylamino)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-5-(dicyclohexylamino)-4-(1H-indole-2-carbonylamino)-5-oxo-pentanoate CAS Name: (4S)-5-(dicyclohexylamino)-4-[[1H-indol-2-yl(oxo)methyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-5-(dicyclohexylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate Traditional Name: (4S)-5-(dicyclohexylamino)-4-(1H-indole-2-carbonylamino)-5-keto-valeric acid benzyl ester Formula: C33H41N3O4 MolecularWeight: 543.69634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)C(CCC(=O)OCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)[C@H](CCC(=O)OCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C33H41N3O4/c37-31(40-23-24-12-4-1-5-13-24)21-20-29(35-32(38)30-22-25-14-10-11-19-28(25)34-30)33(39)36(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1,4-5,10-14,19,22,26-27,29,34H,2-3,6-9,15-18,20-21,23H2,(H,35,38)/t29-/m0/s1