(phenylmethyl) 2-[(1R)-2-(1H-indol-3-yl)-1-[[(2S)-4-methyl-2-[(phenylmethyl)carbamoylamino]pentanoyl]amino]ethyl]-5-methyl-1,3-oxazole-4-carboxylate

Systemtic Name: (phenylmethyl) 2-[(1R)-2-(1H-indol-3-yl)-1-[[(2S)-4-methyl-2-[(phenylmethyl)carbamoylamino]pentanoyl]amino]ethyl]-5-methyl-1,3-oxazole-4-carboxylate Openeye Name: benzyl 2-[(1R)-1-[[(2S)-2-(benzylcarbamoylamino)-4-methyl-pentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-methyl-oxazole-4-carboxylate CAS Name: 2-[(1R)-2-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]pentyl]amino]ethyl]-5-methyl-4-oxazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1R)-1-[[(2S)-2-(benzylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate Traditional Name: 2-[(1R)-1-[[(2S)-2-(benzylcarbamoylamino)-4-methyl-pentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-methyl-oxazole-4-carboxylic acid benzyl ester Formula: C36H39N5O5 MolecularWeight: 621.72536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)NCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(C)C)NC(=O)NCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H39N5O5/c1-23(2)18-30(40-36(44)38-20-25-12-6-4-7-13-25)33(42)39-31(19-27-21-37-29-17-11-10-16-28(27)29)34-41-32(24(3)46-34)35(43)45-22-26-14-8-5-9-15-26/h4-17,21,23,30-31,37H,18-20,22H2,1-3H3,(H,39,42)(H2,38,40,44)/t30-,31+/m0/s1