4-[[1-[2-[[1-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[1-[2-[[1-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[1-[2-[[1-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-[(1-carboxy-2-hydroxy-propyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[[1-[2-[[[1-[[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[1-[2-[[1-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(1-carboxy-2-hydroxy-propyl)amino]-4-[[1-[5-hydroxy-5-keto-2-[[1-(1-tyrosylprolyl)prolyl]amino]pentanoyl]prolyl]amino]-5-keto-valeric acid Formula: C38H53N7O14 MolecularWeight: 831.86592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N)O

InChI

InChI=1S/C38H53N7O14/c1-20(46)31(38(58)59)42-32(52)24(12-14-29(48)49)40-33(53)26-5-2-16-43(26)36(56)25(13-15-30(50)51)41-34(54)27-6-3-17-44(27)37(57)28-7-4-18-45(28)35(55)23(39)19-21-8-10-22(47)11-9-21/h8-11,20,23-28,31,46-47H,2-7,12-19,39H2,1H3,(H,40,53)(H,41,54)(H,42,52)(H,48,49)(H,50,51)(H,58,59)