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BPOC-ARG (MTR) -OH

CAT: 0024-sc-285248Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-285248Size:1 g
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CAS Number
117368-03-3

Chemical Information

N-alpha-[2-(4-Biphenyl)isopropyloxycarbonyl]-N-omega-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-L-arginine
CAS Number117368-03-3
PubChem CID95565946
IUPAC Name(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]pentanoic acid
Molecular FormulaC32H40N4O7S
Molecular Weight624.7
XLogP5
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count44
Formal Charge0
Complexity1080
SMILES
CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C2=CC=C(C=C2)C3=CC=CC=C3)N)C)C)OC
InChI
InChI=1S/C32H40N4O7S/c1-20-19-27(42-6)21(2)22(3)28(20)44(40,41)36-30(33)34-18-10-13-26(29(37)38)35-31(39)43-32(4,5)25-16-14-24(15-17-25)23-11-8-7-9-12-23/h7-9,11-12,14-17,19,26H,10,13,18H2,1-6H3,(H,35,39)(H,37,38)(H3,33,34,36)/t26-/m0/s1
InChIKey
GEZQNQFCUUSBHJ-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of N-alpha-[2-(4-Biphenyl)isopropyloxycarbonyl]-N-omega-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-L-arginine
CAS: 117368-03-3
CID: 95565946
Formula: C32H40N4O7S
MW: 624.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.7
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass624.26177080
Monoisotopic Mass624.26177080
Topological Polar Surface Area178 Ų
Heavy Atom Count44
Formal Charge0
Complexity1080
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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