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

Systemtic Name: 2-[[1-[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[1-[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]succinic acid Formula: C28H41N5O9 MolecularWeight: 591.65324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C28H41N5O9/c1-14(2)22(29)25(38)32-23(15(3)4)26(39)30-18(12-16-7-9-17(34)10-8-16)27(40)33-11-5-6-20(33)24(37)31-19(28(41)42)13-21(35)36/h7-10,14-15,18-20,22-23,34H,5-6,11-13,29H2,1-4H3,(H,30,39)(H,31,37)(H,32,38)(H,35,36)(H,41,42)