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

Systemtic Name: 2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-(tyrosylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]succinic acid Formula: C42H44N6O10 MolecularWeight: 792.83296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C42H44N6O10/c43-31(18-25-10-14-28(49)15-11-25)38(53)45-33(20-26-12-16-29(50)17-13-26)39(54)46-34(19-24-6-2-1-3-7-24)40(55)47-35(41(56)48-36(42(57)58)22-37(51)52)21-27-23-44-32-9-5-4-8-30(27)32/h1-17,23,31,33-36,44,49-50H,18-22,43H2,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,51,52)(H,57,58)