CHEBI:190525 - pepstatin A(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name pepstatin A(1−)
ChEBI ID CHEBI:190525
ChEBI ASCII Name pepstatin A(1-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C34H62N5O9
Net Charge -1
Average Mass 684.897
Monoisotopic Mass 684.45530
InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/p-1/t22-,23-,24-,25-,26-,30-,31-/m0/s1
InChIKey FAXGPCHRFPCXOO-LXTPJMTPSA-M
SMILES [C@@H](NC([C@@H](NC([C@@H](NC(CC(C)C)=O)C(C)C)=O)C(C)C)=O)([C@H](CC(N[C@H](C(N[C@H]([C@H](CC(=O)[O-])O)CC(C)C)=O)C)=O)O)CC(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 pepstatin A(1−) (CHEBI:190525) is a monocarboxylic acid anion (CHEBI:35757)
pepstatin A(1−) (CHEBI:190525) is a pentapeptide (CHEBI:48545)
pepstatin A(1−) (CHEBI:190525) is conjugate base of pepstatin A (CHEBI:7989)
Incoming pepstatin A (CHEBI:7989) is conjugate acid of pepstatin A(1−) (CHEBI:190525)
Synonym Source
pepstatin A UniProt