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Z-Arg-Arg-4MbNA

CAT: 0926-YCA16798-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YCA16798-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73167-98-3
MDL Number
MFCD12910453
Smiles
C1C (OC2=C (O1) C=C (C=C2) Cl) CN.Cl
Molecular Formula
C31H41N9O5
Molecular Weight
619.7 g/mol
Controlled
No

Chemical Information

Z-Arg-Arg-4MbNA
CAS Number73167-98-3
PubChem CID22845249
IUPAC Namebenzyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Molecular FormulaC31H41N9O5
Molecular Weight619.7
XLogP1.3
Topological Polar Surface Area235
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count45
Formal Charge0
Complexity996
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C31H41N9O5/c1-44-26-18-22(17-21-11-5-6-12-23(21)26)38-27(41)24(13-7-15-36-29(32)33)39-28(42)25(14-8-16-37-30(34)35)40-31(43)45-19-20-9-3-2-4-10-20/h2-6,9-12,17-18,24-25H,7-8,13-16,19H2,1H3,(H,38,41)(H,39,42)(H,40,43)(H4,32,33,36)(H4,34,35,37)/t24-,25-/m0/s1
InChIKey
UGENMPCCAUJPMX-DQEYMECFSA-N
Chemical Structure
2D Structure
2D structure of Z-Arg-Arg-4MbNA
CAS: 73167-98-3
CID: 22845249
Formula: C31H41N9O5
MW: 619.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight619.7
XLogP31.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass619.32306544
Monoisotopic Mass619.32306544
Topological Polar Surface Area235 Ų
Heavy Atom Count45
Formal Charge0
Complexity996
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
J-1105.0050Z-Arg-Arg-4MbNA
J-1110.0050Z-Arg-Arg-Arg-4MbNA
J-1090.0050Z-Ala-Arg-Arg-4MbNA
J-1390.0250Z-Leu-Arg-4MbNA
J-1140.0050Z-Phe-Arg-4MbNA · HCl
J-1120.0050Z-Gly-Pro-Arg-4MbNA
J-1160.0250Z-Val-Leu-Arg-4MbNA · HCl
J-1165.0250Z-Val-Lys-Lys-Arg-4MbNA
J-1115.0250Z-Gly-Gly-Arg-4MbNA · HCl
J-1035.0250H-Arg-4MbNA

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