3-[2-[[(2S)-2-(1H-indol-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[2-[[(2S)-2-(1H-indol-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]phenyl]propanoic acid Openeye Name: 3-[2-[[(2S)-5-(benzyloxycarbonylamino)-2-(1H-indole-2-carbonylamino)pentanoyl]amino]phenyl]propanoic acid CAS Name: 3-[2-[[(2S)-2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]phenyl]propanoic acid IUPAC Name: 3-[2-[[(2S)-2-(1H-indole-2-carbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]phenyl]propanoic acid Traditional Name: 3-[2-[[(2S)-5-(benzyloxycarbonylamino)-2-(1H-indole-2-carbonylamino)pentanoyl]amino]phenyl]propionic acid Formula: C31H32N4O6 MolecularWeight: 556.60898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)NC2=CC=CC=C2CCC(=O)O)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC[C@@H](C(=O)NC2=CC=CC=C2CCC(=O)O)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C31H32N4O6/c36-28(37)17-16-22-11-4-6-13-24(22)34-29(38)26(35-30(39)27-19-23-12-5-7-14-25(23)33-27)15-8-18-32-31(40)41-20-21-9-2-1-3-10-21/h1-7,9-14,19,26,33H,8,15-18,20H2,(H,32,40)(H,34,38)(H,35,39)(H,36,37)/t26-/m0/s1