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CHEBI:43560 - 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID

Default Structure
ChEBI IDCHEBI:43560
ChEBI Name2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC30H37N3O10
Net Charge0
Average Mass599.637
Monoisotopic Mass599.24789
SMILES[H]OC(=O)c1c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c([H])c1OC([H])([H])C(=O)O[H]
InChIInChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1
InChIKeyPUAJYWYRZTYQKS-GOTSBHOMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID (CHEBI:43560) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACIDPDBeChem
N-(3-carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamidePDBeChem
Manual XrefsDatabases
INXPDBeChem