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Bz-Phe-Val-Arg-AMC

CAT: 0121-4003131.0025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0121-4003131.0025Size:25 mg
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CAS Number
88899-22-3
Specifications
I-1080.0025
Synonyms
Thrombin Substrate III, Fluorogenic
Sequence
Bz-Phe-Val-Arg-AMC
Molecular Formula
C₃₇H₄₃N₇O₆
Molecular Weight
681.79
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

BZ-Phe-val-arg-amc
CAS Number88899-22-3
PubChem CID11700365
IUPAC NameN-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
Molecular FormulaC37H43N7O6
Molecular Weight681.8
XLogP3.3
Topological Polar Surface Area207
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count50
Formal Charge0
Complexity1250
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C37H43N7O6/c1-22(2)32(44-35(48)29(20-24-11-6-4-7-12-24)43-33(46)25-13-8-5-9-14-25)36(49)42-28(15-10-18-40-37(38)39)34(47)41-26-16-17-27-23(3)19-31(45)50-30(27)21-26/h4-9,11-14,16-17,19,21-22,28-29,32H,10,15,18,20H2,1-3H3,(H,41,47)(H,42,49)(H,43,46)(H,44,48)(H4,38,39,40)/t28-,29-,32-/m0/s1
InChIKey
QBDRNGBZKAOZHF-OLWNVYNHSA-N
Chemical Structure
2D Structure
2D structure of BZ-Phe-val-arg-amc
CAS: 88899-22-3
CID: 11700365
Formula: C37H43N7O6
MW: 681.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight681.8
XLogP33.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass681.32748212
Monoisotopic Mass681.32748212
Topological Polar Surface Area207 Ų
Heavy Atom Count50
Formal Charge0
Complexity1250
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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