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

Systemtic Name: (phenylmethyl) (4S)-5-(dipropylamino)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxo-pentanoate CAS Name: (4S)-5-(dipropylamino)-4-[[1H-indol-2-yl(oxo)methyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate Traditional Name: (4S)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-keto-valeric acid benzyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CCCN(CCC)C(=O)[C@H](CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C27H33N3O4/c1-3-16-30(17-4-2)27(33)23(14-15-25(31)34-19-20-10-6-5-7-11-20)29-26(32)24-18-21-12-8-9-13-22(21)28-24/h5-13,18,23,28H,3-4,14-17,19H2,1-2H3,(H,29,32)/t23-/m0/s1