2-[[(2S)-3-(1H-indol-3-yl)-2-(1H-indol-2-ylcarbonylamino)propanoyl]-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[[(2S)-3-(1H-indol-3-yl)-2-(1H-indol-2-ylcarbonylamino)propanoyl]-phenethyl-amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(1H-indole-2-carbonylamino)-3-(1H-indol-3-yl)propanoyl]-phenethyl-amino]acetic acid CAS Name: 2-[[(2S)-3-(1H-indol-3-yl)-2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopropyl]-phenethylamino]acetic acid IUPAC Name: 2-[[(2S)-2-(1H-indole-2-carbonylamino)-3-(1H-indol-3-yl)propanoyl]-phenethylamino]acetic acid Traditional Name: 2-[[(2S)-2-(1H-indole-2-carbonylamino)-3-(1H-indol-3-yl)propanoyl]-phenethyl-amino]acetic acid Formula: C30H28N4O4 MolecularWeight: 508.56772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC(=O)O)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC(=O)O)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C30H28N4O4/c35-28(36)19-34(15-14-20-8-2-1-3-9-20)30(38)27(17-22-18-31-25-13-7-5-11-23(22)25)33-29(37)26-16-21-10-4-6-12-24(21)32-26/h1-13,16,18,27,31-32H,14-15,17,19H2,(H,33,37)(H,35,36)/t27-/m0/s1