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DPC-681

CAT: 0926-JLA66168-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-JLA66168-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
284661-68-3
MDL Number
MFCD29924719
Smiles
CC (C) CN (CC ([C@H] (CC1=CC=CC=C1) N (CC2=CC (=CC=C2) F) [C@@H] (C (=O) NC (=O) CN) C (C) (C) C) O) S (=O) (=O) C3=CC=CC (=C3) N
Molecular Formula
C35H48FN5O5S
Molecular Weight
669.85 g/mol
Controlled
No

Chemical Information

Dpc-681

structure in first source

CAS Number284661-68-3
PubChem CID127255631
IUPAC Name(2S)-2-[[(2S,3R)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethylbutanamide
Molecular FormulaC35H48FN5O5S
Molecular Weight669.9
XLogP4.5
Topological Polar Surface Area167
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count47
Formal Charge0
Complexity1090
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N([C@H](C(=O)N)C(C)(C)C)C(=O)CNCC2=CC(=CC=C2)F)O)S(=O)(=O)C3=CC=CC(=C3)N
InChI
InChI=1S/C35H48FN5O5S/c1-24(2)22-40(47(45,46)29-16-10-15-28(37)19-29)23-31(42)30(18-25-11-7-6-8-12-25)41(33(34(38)44)35(3,4)5)32(43)21-39-20-26-13-9-14-27(36)17-26/h6-17,19,24,30-31,33,39,42H,18,20-23,37H2,1-5H3,(H2,38,44)/t30-,31+,33+/m0/s1
InChIKey
VAXRCFUMOHKDCQ-RKKDRKJOSA-N
Chemical Structure
2D Structure
2D structure of Dpc-681
CAS: 284661-68-3
CID: 127255631
Formula: C35H48FN5O5S
MW: 669.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.9
XLogP34.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass669.33601898
Monoisotopic Mass669.33601898
Topological Polar Surface Area167 Ų
Heavy Atom Count47
Formal Charge0
Complexity1090
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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