(phenylmethyl) (2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propanoate Openeye Name: benzyl (2R)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]propanoate Traditional Name: (2R)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]ethyl]amino]propionic acid benzyl ester Formula: C33H38N4O4 MolecularWeight: 554.67922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=CC=C1)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C33H38N4O4/c1-22(2)18-29(31(38)36-26-14-8-5-9-15-26)37-32(39)30(19-25-20-34-28-17-11-10-16-27(25)28)35-23(3)33(40)41-21-24-12-6-4-7-13-24/h4-17,20,22-23,29-30,34-35H,18-19,21H2,1-3H3,(H,36,38)(H,37,39)/t23-,29+,30+/m1/s1