2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-(tyrosylamino)propanoyl]amino]propionic acid Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C29H30N4O6/c30-23(13-17-5-9-20(34)10-6-17)27(36)32-25(15-19-16-31-24-4-2-1-3-22(19)24)28(37)33-26(29(38)39)14-18-7-11-21(35)12-8-18/h1-12,16,23,25-26,31,34-35H,13-15,30H2,(H,32,36)(H,33,37)(H,38,39)