2-[[2-[[2-[[2-[2-azanylpropanoyl(phosphono)amino]-3-oxidanyl-butanoyl]-phosphono-amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[2-azanylpropanoyl(phosphono)amino]-3-oxidanyl-butanoyl]-phosphono-amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-[[2-[2-aminopropanoyl(phosphono)amino]-3-hydroxy-butanoyl]-phosphono-amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)-phosphonoamino]-3-hydroxy-1-oxobutyl]-phosphonoamino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[2-aminopropanoyl(phosphono)amino]-3-hydroxybutanoyl]-phosphonoamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[[2-[alanyl(phosphono)amino]-3-hydroxy-butanoyl]-phosphono-amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]propionic acid Formula: C22H35N5O15P2 MolecularWeight: 671.485322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O15P2/c1-10(23)20(33)27(44(40,41)42)17(12(3)29)21(34)26(43(37,38)39)16(8-13-4-6-14(30)7-5-13)19(32)25-15(9-28)18(31)24-11(2)22(35)36/h4-7,10-12,15-17,28-30H,8-9,23H2,1-3H3,(H,24,31)(H,25,32)(H,35,36)(H2,37,38,39)(H2,40,41,42)