3-[[(2S)-3-(1H-indol-2-yl)-2-[4-(pyridin-2-ylamino)butanoylamino]propanoyl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[[(2S)-3-(1H-indol-2-yl)-2-[4-(pyridin-2-ylamino)butanoylamino]propanoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[(2S)-3-(1H-indol-2-yl)-2-[4-(2-pyridylamino)butanoylamino]propanoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[(2S)-3-(1H-indol-2-yl)-1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]propyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[(2S)-3-(1H-indol-2-yl)-2-[4-(pyridin-2-ylamino)butanoylamino]propanoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[(2S)-3-(1H-indol-2-yl)-2-[4-(2-pyridylamino)butanoylamino]propanoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C35H35N5O4 MolecularWeight: 589.6835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)C(CC3=CC4=CC=CC=C4N3)NC(=O)CCCNC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)[C@H](CC3=CC4=CC=CC=C4N3)NC(=O)CCCNC5=CC=CC=N5

InChI

InChI=1S/C35H35N5O4/c41-33(14-8-20-37-32-13-6-7-19-36-32)39-31(22-28-21-27-11-4-5-12-29(27)38-28)35(44)40-30(23-34(42)43)26-17-15-25(16-18-26)24-9-2-1-3-10-24/h1-7,9-13,15-19,21,30-31,38H,8,14,20,22-23H2,(H,36,37)(H,39,41)(H,40,44)(H,42,43)/t30?,31-/m0/s1