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(Q106025074)
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English
Val-Ile-Ser
chemical compound
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
317.195070964
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₄H₂₇N₃O₅
0 references
canonical SMILES
CCC(C)C(NC(=O)C(N)C(C)C)C(=O)NC(CO)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)N
0 references
Identifiers
InChI
InChI=1S/C14H27N3O5/c1-5-8(4)11(17-12(19)10(15)7(2)3)13(20)16-9(6-18)14(21)22/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9-,10-,11-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
OVBMCNDKCWAXMZ-NAKRPEOUSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
145458957
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
OVBMCNDKCWAXMZ-NAKRPEOUSA-N
ChEBI ID
166248
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H27N3O5/c1-5-8(4)11(17-12(19)10(15)7(2)3)13(20)16-9(6-18)14(21)22/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9-,10-,11-/m0/s1
UniChem compound ID
176707440
1 reference
stated in
UniChem
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