CHEBI:182647 - 1-[2-[(3-Methyl-1,2,3,4-tetrahydroquinoline-8-yl)sulfonylamino]-5-guanidinopentanoyl]-4-methylpiperidine-2-carboxylic acid

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ChEBI Name 1-[2-[(3-Methyl-1,2,3,4-tetrahydroquinoline-8-yl)sulfonylamino]-5-guanidinopentanoyl]-4-methylpiperidine-2-carboxylic acid
ChEBI ID CHEBI:182647
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H36N6O5S
Net Charge 0
Average Mass 508.640
Monoisotopic Mass 508.24679
InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)
InChIKey KXNPVXPOPUZYGB-UHFFFAOYSA-N
SMILES S(=O)(=O)(NC(C(=O)N1C(CC(CC1)C)C(O)=O)CCCN=C(N)N)C=2C=3NCC(CC3C=CC2)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[2-[(3-Methyl-1,2,3,4-tetrahydroquinoline-8-yl)sulfonylamino]-5-guanidinopentanoyl]-4-methylpiperidine-2-carboxylic acid (CHEBI:182647) is a dipeptide (CHEBI:46761)
IUPAC Name
1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
Manual Xref Database
2145 ChemSpider
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