2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[2-[[2-(alanylamino)-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butyric acid Formula: C22H33N5O10 MolecularWeight: 527.52492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O10/c1-10(23)18(32)25-15(8-28)20(34)24-14(7-12-3-5-13(31)6-4-12)19(33)26-16(9-29)21(35)27-17(11(2)30)22(36)37/h3-6,10-11,14-17,28-31H,7-9,23H2,1-2H3,(H,24,34)(H,25,32)(H,26,33)(H,27,35)(H,36,37)