CAS
91497-22-2 Purity
96%
91497-22-2 Purity
96%
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(3,4-Dehydro-pro3)-tuftsin
CAS
91502-65-7
Catalog Number
ACM91502657
Category
Other Products
Molecular Weight
498.5764
Molecular Formula
C21H38N8O6
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Specification
Synonyms
H-THR-LYS-3,4-DEHYDRO-PRO-ARG-OH;(3,4-DEHYDRO-PRO3)-TUFTSIN;THR-LYS-3,4-DEHYDRO-PRO-ARG;tuftsin, (3,4-dehydro-Pro)(3)-
IUPAC Name
(2S)-2-[[(2S)-1-[6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Canonical SMILES
CC(C(C(=O)NC(CCCCN)C(=O)N1CC=CC1C(=O)NC(CCCN=C(N)N)C(=O)O)N)O
InChI Key
OHGJMPDANPWMKQ-NNFXCFJSSA-N
Density
1.48 g/cm³
Exact Mass
498.29100
H-Bond Acceptor
11
H-Bond Donor
8
What is the molecular formula of (3,4-Dehydro-Pro3)-Tuftsin?
The molecular formula of (3,4-Dehydro-Pro3)-Tuftsin is C21H38N8O6.
When was (3,4-Dehydro-Pro3)-Tuftsin created in PubChem?
(3,4-Dehydro-Pro3)-Tuftsin was created on October 27, 2008 in PubChem.
What is the molecular weight of (3,4-Dehydro-Pro3)-Tuftsin?
The molecular weight of (3,4-Dehydro-Pro3)-Tuftsin is 498.6 g/mol.
How many hydrogen bond donor counts does (3,4-Dehydro-Pro3)-Tuftsin have?
(3,4-Dehydro-Pro3)-Tuftsin has 8 hydrogen bond donor counts.
What is the XLogP3-AA value of (3,4-Dehydro-Pro3)-Tuftsin?
The XLogP3-AA value of (3,4-Dehydro-Pro3)-Tuftsin is -5.6.
How many topological polar surface areas does (3,4-Dehydro-Pro3)-Tuftsin have?
(3,4-Dehydro-Pro3)-Tuftsin has a topological polar surface area of 253 A^2.
How many heavy atoms are present in (3,4-Dehydro-Pro3)-Tuftsin?
There are 35 heavy atoms in (3,4-Dehydro-Pro3)-Tuftsin.
How many defined atom stereocenter counts does (3,4-Dehydro-Pro3)-Tuftsin have?
(3,4-Dehydro-Pro3)-Tuftsin has 5 defined atom stereocenter counts.
Is (3,4-Dehydro-Pro3)-Tuftsin a canonicalized compound?
Yes, (3,4-Dehydro-Pro3)-Tuftsin is a canonicalized compound.
What is the InChIKey of (3,4-Dehydro-Pro3)-Tuftsin?
The InChIKey of (3,4-Dehydro-Pro3)-Tuftsin is OHGJMPDANPWMKQ-YXMSTPNBSA-N.
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