2-[[2-[[1-[2-[[2-[[1-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-[[1-[2-[[2-[[1-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[1-[2-[[2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[[1-[2-[[2-[[[1-[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[1-[2-[[2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[3-hydroxy-2-[[1-[3-hydroxy-2-[[3-hydroxy-2-[[1-[3-hydroxy-2-(tyrosylamino)propanoyl]prolyl]amino]butanoyl]amino]propanoyl]prolyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C41H56N8O15 MolecularWeight: 900.92794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)N)O

InChI

InChI=1S/C41H56N8O15/c1-21(53)33(47-37(59)32-5-3-15-49(32)39(61)29(19-51)45-34(56)26(42)16-22-6-10-24(54)11-7-22)38(60)46-30(20-52)40(62)48-14-2-4-31(48)36(58)44-28(18-50)35(57)43-27(41(63)64)17-23-8-12-25(55)13-9-23/h6-13,21,26-33,50-55H,2-5,14-20,42H2,1H3,(H,43,57)(H,44,58)(H,45,56)(H,46,60)(H,47,59)(H,63,64)