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Technical details about LTI-03, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Csp7, Unii-je7g34jyw4, Csp-7, Je7g34jyw4, Lti-03, L-threonine, l-phenylalanyl-l-threonyl-l-threonyl-l-phenylalanyl-l-threonyl-l-valyl-
Molecular Formula
C39H57N7O12
Molecular Weight
815.9  g/mol
InChI Key
MPQBITKUSWZKQD-DVPOGPKQSA-N

LTI-03 is a caveolin-1 Scaffolding Domain 7-Mer
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
2.1.2 InChI
InChI=1S/C39H57N7O12/c1-19(2)28(35(53)46-32(23(6)50)39(57)58)42-37(55)31(22(5)49)44-34(52)27(18-25-15-11-8-12-16-25)41-36(54)29(20(3)47)45-38(56)30(21(4)48)43-33(51)26(40)17-24-13-9-7-10-14-24/h7-16,19-23,26-32,47-50H,17-18,40H2,1-6H3,(H,41,54)(H,42,55)(H,43,51)(H,44,52)(H,45,56)(H,46,53)(H,57,58)/t20-,21-,22-,23-,26+,27+,28+,29+,30+,31+,32+/m1/s1
2.1.3 InChI Key
MPQBITKUSWZKQD-DVPOGPKQSA-N
2.1.4 Canonical SMILES
CC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)N
2.1.5 Isomeric SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)N)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Csp7

2. Unii-je7g34jyw4

3. Csp-7

4. Je7g34jyw4

5. Lti-03

6. L-threonine, L-phenylalanyl-l-threonyl-l-threonyl-l-phenylalanyl-l-threonyl-l-valyl-

7. 1504575-10-3

2.3 Create Date
2014-11-10
3 Chemical and Physical Properties
Molecular Weight 815.9 g/mol
Molecular Formula C39H57N7O12
XLogP3-4.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area319
Heavy Atom Count58
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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