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Suc-Val-Pro-Phe-4MbNA

CAT: 0926-FS110638-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FS110638-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201982-90-3
MDL Number
MFCD00238387
Smiles
CC (C) [C@@H] (C (=O) N1CCC[C@H]1C (=O) N[C@@H] (Cc2ccccc2) C (=O) Nc3cc4ccccc4c (c3) OC) NC (=O) CCC (=O) OC
Molecular Formula
C34H40N4O7
Molecular Weight
616.7 g/mol
Controlled
No

Chemical Information

Suc-Val-Pro-Phe-MNA
CAS Number201982-90-3
PubChem CID95566015
IUPAC Name4-[[(2S)-1-[(2S)-2-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC34H40N4O7
Molecular Weight616.7
XLogP3.8
Topological Polar Surface Area154
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity1050
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4C(=C3)OC)NC(=O)CCC(=O)O
InChI
InChI=1S/C34H40N4O7/c1-21(2)31(37-29(39)15-16-30(40)41)34(44)38-17-9-14-27(38)33(43)36-26(18-22-10-5-4-6-11-22)32(42)35-24-19-23-12-7-8-13-25(23)28(20-24)45-3/h4-8,10-13,19-21,26-27,31H,9,14-18H2,1-3H3,(H,35,42)(H,36,43)(H,37,39)(H,40,41)/t26-,27-,31-/m0/s1
InChIKey
LBTCIKIYJVOSFD-HEWUYBSCSA-N
Chemical Structure
2D Structure
2D structure of Suc-Val-Pro-Phe-MNA
CAS: 201982-90-3
CID: 95566015
Formula: C34H40N4O7
MW: 616.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.7
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass616.28969963
Monoisotopic Mass616.28969963
Topological Polar Surface Area154 Ų
Heavy Atom Count45
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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