(phenylmethyl) (2S)-2-[2-[[(2S)-3-(1H-indol-3-yl)-2-(pyridin-2-ylcarbonylamino)propanoyl]amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2-[[(2S)-3-(1H-indol-3-yl)-2-(pyridin-2-ylcarbonylamino)propanoyl]amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[2-[[(2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-2-[[oxo(2-pyridinyl)methyl]amino]propyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-[[(2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[(2S)-3-(1H-indol-3-yl)-2-picolinamido-propanoyl]amino]acetyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C35H33N5O5 MolecularWeight: 603.66702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=N5

InChI

InChI=1S/C35H33N5O5/c41-32(39-31(19-24-11-3-1-4-12-24)35(44)45-23-25-13-5-2-6-14-25)22-38-33(42)30(40-34(43)29-17-9-10-18-36-29)20-26-21-37-28-16-8-7-15-27(26)28/h1-18,21,30-31,37H,19-20,22-23H2,(H,38,42)(H,39,41)(H,40,43)/t30-,31-/m0/s1