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Boc-Arg (Z) ₂-OSu

CAT: 0121-4002887.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4002887.0005Size:5 g
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CAS Number
76052-29-4
Specifications
A-1570.0005
Synonyms
Boc-δ, ω-Arg (Z) ₂-OSu
Sequence
Boc-Arg (Z) ₂-OSu
Molecular Formula
C₃₁H₃₇N₅O₁₀
Molecular Weight
639.66
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Boc-arg(Z)2-osu
CAS Number76052-29-4
PubChem CID74788371
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Molecular FormulaC31H37N5O10
Molecular Weight639.7
XLogP4.4
Topological Polar Surface Area191
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count46
Formal Charge0
Complexity1060
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C31H37N5O10/c1-31(2,3)45-30(42)33-23(26(39)46-36-24(37)16-17-25(36)38)15-10-18-32-27(34-28(40)43-19-21-11-6-4-7-12-21)35-29(41)44-20-22-13-8-5-9-14-22/h4-9,11-14,23H,10,15-20H2,1-3H3,(H,33,42)(H2,32,34,35,40,41)/t23-/m0/s1
InChIKey
HAKDQDAGZLXYNM-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Boc-arg(Z)2-osu
CAS: 76052-29-4
CID: 74788371
Formula: C31H37N5O10
MW: 639.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.7
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass639.25404239
Monoisotopic Mass639.25404239
Topological Polar Surface Area191 Ų
Heavy Atom Count46
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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