CHEBI:95288 - N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
ChEBI ID CHEBI:95288
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H43N3O5
Net Charge 0
Average Mass 489.648
Monoisotopic Mass 489.32027
InChI InChI=1S/C27H43N3O5/c1-17(2)13-22(20(7)31)28-25(32)23(14-18(3)4)29-26(33)24(15-19(5)6)30-27(34)35-16-21-11-9-8-10-12-21/h8-12,17-19,22-24H,13-16H2,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t22-,23-,24-/m0/s1
InChIKey ATFNUSPXCODRJQ-HJOGWXRNSA-N
SMILES CC(C)C[C@@H](C(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
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 N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester (CHEBI:95288) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-6623 LINCS
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