CHEBI:94261 - (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-N-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-N-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]butanamide
ChEBI ID CHEBI:94261
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H28N4O3
Net Charge 0
Average Mass 384.473
Monoisotopic Mass 384.21614
InChI InChI=1S/C21H28N4O3/c1-12(2)18(25-19(26)13(3)22)21(28)23-14(4)20(27)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-14,18H,22H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14-,18-/m0/s1
InChIKey NUXOKPCTWFCPBI-DEYYWGMASA-N
SMILES C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC1=CC=CC2=CC=CC=C21)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-N-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]butanamide (CHEBI:94261) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-4884 LINCS
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