CHEBI:181727 - (Z)-4-[[3,3-Dimethyl-2-[[3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid

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ChEBI Name (Z)-4-[[3,3-Dimethyl-2-[[3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
ChEBI ID CHEBI:181727
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46N4O4
Net Charge 0
Average Mass 526.722
Monoisotopic Mass 526.35191
InChI InChI=1S/C30H46N4O4/c1-18(2)23(16-19(3)28(37)38)34(11)27(36)25(29(4,5)6)32-26(35)24(31-9)30(7,8)21-17-33(10)22-15-13-12-14-20(21)22/h12-18,23-25,31H,1-11H3,(H,32,35)(H,37,38)/b19-16-
InChIKey KQODQNJLJQHFQV-MNDPQUGUSA-N
SMILES O=C(NC(C(C)(C)C)C(=O)N(C(C(C)C)/C=C(/C)\C(O)=O)C)C(NC)C(C=1C=2C(N(C1)C)=CC=CC2)(C)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 (Z)-4-[[3,3-Dimethyl-2-[[3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid (CHEBI:181727) is a dipeptide (CHEBI:46761)
IUPAC Name
(Z)-4-[[3,3-dimethyl-2-[[3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid