cep-1612
chemical compound
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cep-1612
Summary
cep-1612 is a group of stereoisomers[1].
Key Facts
- cep-1612's instance of is recorded as group of stereoisomers[2].
- cep-1612's CAS Registry Number is recorded as 189036-01-9[3].
- cep-1612's canonical SMILES is recorded as CC(C)CC(C=O)NC(=O)C(CCCN=C(N)NN+[O-])NC(=O)C(CCCCCCCCN1C(=O)C2=CC=CC=C2C1=O)C3CCCC3N+[O-])NC(=O)C(CCCCCCCCN1C(=O)C2=CC=CC=C2C1=O)C3CCCC3">[4].
- cep-1612's InChI is recorded as InChI=1S/C35H53N7O7/c1-24(2)22-26(23-43)38-32(45)30(19-13-20-37-35(36)40-42(48)49)39-31(44)27(25-14-8-9-15-25)16-7-5-3-4-6-12-21-41-33(46)28-17-10-11-18-29(28)34(41)47/h10-11,17-18,23-27,30H,3-9,12-16,19-22H2,1-2H3,(H,38,45)(H,39,44)(H3,36,37,40)/t26-,27?,30-/m0/s1[5].
- cep-1612's InChIKey is recorded as OOEXUWDNTCTJMI-ZJHKYUCMSA-N[6].
- cep-1612's chemical formula is recorded as C₃₅H₅₃N₇O₇[7].
- cep-1612's subclass of is recorded as chemical compound[8].
- cep-1612's ChEMBL ID is recorded as CHEMBL1957054[9].
- cep-1612's UNII is recorded as 9K6U075027[10].
- cep-1612's ChemSpider ID is recorded as 8115404[11].
- cep-1612's PubChem CID is recorded as 9939783[12].
- cep-1612's PubChem CID is recorded as 135474528[13].
- cep-1612's PubChem CID is recorded as 153274813[14].
- cep-1612's isomeric SMILES is recorded as CC(C)CC@@HNC(=O)C@HNC(=O)C(CCCCCCCCN1C(=O)C2=CC=CC=C2C1=O)C3CCCC3C@@HNC(=O)C@HNC(=O)C(CCCCCCCCN1C(=O)C2=CC=CC=C2C1=O)C3CCCC3">[15].
- cep-1612's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+683.401'}[16].
- cep-1612's SureChEMBL ID is recorded as 29604159[17].
- cep-1612's UniChem compound ID is recorded as 27227520[18].