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loading...| Preferred Name |
Pro-Asp-Trp |
| Synonyms |
(3S)-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid |
| ID |
http://purl.obolibrary.org/obo/CHEBI_162172 |
| charge |
0 |
| formula |
C20H24N4O6 |
| has_exact_synonym |
(3S)-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:162172 |
| in_subset | |
| inchi |
InChI=1S/C20H24N4O6/c25-17(26)9-15(23-18(27)14-6-3-7-21-14)19(28)24-16(20(29)30)8-11-10-22-13-5-2-1-4-12(11)13/h1-2,4-5,10,14-16,21-22H,3,6-9H2,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t14-,15-,16-/m0/s1 |
| inchikey |
ZYBUKTMPPFQSHL-JYJNAYRXSA-N |
| label |
Pro-Asp-Trp |
| mass |
416.434 |
| monoisotopicmass |
416.16958 |
| notation |
CHEBI:162172 |
| prefLabel |
Pro-Asp-Trp |
| smiles |
O=C(N[C@H](C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)CC(O)=O)[C@H]3NCCC3 |
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| subClassOf |
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