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Carfilzomib Impurity 25

CAT: 1596-AR-C06221-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06221-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2049024-37-3
Synonyms
Benzyl ((R) -2- ((tert-butoxycarbonyl) amino) -4-phenylbutanoyl) -L-leucyl-L-phenylalaninate
Molecular Formula
C37H47N3O6
Molecular Weight
629.80
API Name
Carfilzomib

Chemical Information

(6R,9S,12S)-Benzyl 12-Benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate (SM1-A)
CAS Number2049024-37-3
PubChem CID124647043
IUPAC Namebenzyl (2S)-2-[[(2S)-4-methyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate
Molecular FormulaC37H47N3O6
Molecular Weight629.8
XLogP7.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Heavy Atom Count46
Formal Charge0
Complexity945
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)[C@@H](CCC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C37H47N3O6/c1-26(2)23-31(38-33(41)30(40-36(44)46-37(3,4)5)22-21-27-15-9-6-10-16-27)34(42)39-32(24-28-17-11-7-12-18-28)35(43)45-25-29-19-13-8-14-20-29/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,41)(H,39,42)(H,40,44)/t30-,31+,32+/m1/s1
InChIKey
AKIABKDAWVWIHO-RTOKGZNSSA-N
Chemical Structure
2D Structure
2D structure of (6R,9S,12S)-Benzyl 12-Benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate (SM1-A)
CAS: 2049024-37-3
CID: 124647043
Formula: C37H47N3O6
MW: 629.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.8
XLogP37.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Exact Mass629.34648623
Monoisotopic Mass629.34648623
Topological Polar Surface Area123 Ų
Heavy Atom Count46
Formal Charge0
Complexity945
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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