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Z-D-Arg (Pbf) -OH.CHA

CAT: 0127-OR1063147-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1063147-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200191-00-0
MDL Number
MFCD00237328
Purity
98%
Smiles
NC1CCCCC1.CC2=C3C(CC(C)(O3)C)=C(C(S(NC(NCCC[C@H](C(O)=O)NC(OCC4=CC=CC=C4)=O)=N)(=O)=O)=C2C)C

Chemical Information

Z-D-Arg(pbf)-OH cha
CAS Number200191-00-0
PubChem CID56776996
IUPAC Name(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine
Molecular FormulaC33H49N5O7S
Molecular Weight659.8
Topological Polar Surface Area204
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity1040
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)N)C.C1CCC(CC1)N
InChI
InChI=1S/C27H36N4O7S.C6H13N/c1-16-17(2)23(18(3)20-14-27(4,5)38-22(16)20)39(35,36)31-25(28)29-13-9-12-21(24(32)33)30-26(34)37-15-19-10-7-6-8-11-19;7-6-4-2-1-3-5-6/h6-8,10-11,21H,9,12-15H2,1-5H3,(H,30,34)(H,32,33)(H3,28,29,31);6H,1-5,7H2/t21-;/m1./s1
InChIKey
VDQHDVIYBBISOZ-ZMBIFBSDSA-N
Chemical Structure
2D Structure
2D structure of Z-D-Arg(pbf)-OH cha
CAS: 200191-00-0
CID: 56776996
Formula: C33H49N5O7S
MW: 659.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight659.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass659.33527009
Monoisotopic Mass659.33527009
Topological Polar Surface Area204 Ų
Heavy Atom Count46
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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4019729.0005Z-Arg (Pbf) -OH · CHA
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