2-[[2-[2-[[2-[[2-[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-[2-[[2-[[2-[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[2-[[2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[2-[[2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[2-[[2-[[2-[(1-alanylprolyl)amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propionic acid Formula: C33H51N7O11 MolecularWeight: 721.79834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)N

InChI

InChI=1S/C33H51N7O11/c1-6-16(2)25(38-29(46)24-8-7-13-40(24)32(49)17(3)34)30(47)39-26(19(5)42)31(48)35-18(4)27(44)36-22(14-20-9-11-21(43)12-10-20)28(45)37-23(15-41)33(50)51/h9-12,16-19,22-26,41-43H,6-8,13-15,34H2,1-5H3,(H,35,48)(H,36,44)(H,37,45)(H,38,46)(H,39,47)(H,50,51)