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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB02136
http://purl.obolibrary.org/obo/dinto_DB02136
|
|---|---|
| Preferred Name | cephalosporin analog |
| Synonyms |
C32H42N6O13S
(2S)-2-[(S)-carboxy(2-phenylacetamido)methyl]-5-[(3R)-3-[(4R)-4-carboxy-4-acetamidobutanamido]-3-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}propyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | cephalosporin analog
|
|---|---|
| label | cephalosporin analog
|
| type | |
| InChIKey | InChIKey=PEUIVMLYMKXUBF-ITDGDZGASA-N
|
| Synonym | C32H42N6O13S
(2S)-2-[(S)-carboxy(2-phenylacetamido)methyl]-5-[(3R)-3-[(4R)-4-carboxy-4-acetamidobutanamido]-3-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}propyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
|
| xref |
PDB:CEH
PubChem Substance:46509008
PubChem Compound:46936307
ChemSpider:3672132
|
| prefixIRI | obo2:dinto_DB02136
|
| related with | |
| SMILES | C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC1=C(N[C@@H](SC1)[C@@H](NC(=O)CC1=CC=CC=C1)C(O)=O)C(O)=O)NC(=O)CC[C@@H](NC(C)=O)C(O)=O)C(O)=O
|
| InChI | InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20-,21-,25-,28+/m1/s1
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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