(4S)-5-(dicyclohexylamino)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-(dicyclohexylamino)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(dicyclohexylamino)-4-(1H-indole-2-carbonylamino)-5-oxo-pentanoic acid CAS Name: (4S)-5-(dicyclohexylamino)-4-[[1H-indol-2-yl(oxo)methyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(dicyclohexylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid Traditional Name: (4S)-5-(dicyclohexylamino)-4-(1H-indole-2-carbonylamino)-5-keto-valeric acid Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)C(CCC(=O)O)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)[C@H](CCC(=O)O)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C26H35N3O4/c30-24(31)16-15-22(28-25(32)23-17-18-9-7-8-14-21(18)27-23)26(33)29(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h7-9,14,17,19-20,22,27H,1-6,10-13,15-16H2,(H,28,32)(H,30,31)/t22-/m0/s1