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Fmoc-3VVD-OH

CAT: 0607-BA2375-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2375-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
863971-44-2
Form
A solid
Molecular Formula
C36H51N3O7
Molecular Weight
637.81
Shipping Conditions
Blue ice
Storage Conditions
4°C.

Chemical Information

(5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
CAS Number863971-44-2
PubChem CID60042710
IUPAC Name(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid
Molecular FormulaC36H51N3O7
Molecular Weight637.8
XLogP6
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count46
Formal Charge0
Complexity1010
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C36H51N3O7/c1-10-23(6)33(29(45-9)19-30(40)41)38(7)35(43)31(21(2)3)37-34(42)32(22(4)5)39(8)36(44)46-20-28-26-17-13-11-15-24(26)25-16-12-14-18-27(25)28/h11-18,21-23,28-29,31-33H,10,19-20H2,1-9H3,(H,37,42)(H,40,41)/t23-,29+,31-,32-,33-/m0/s1
InChIKey
SMVBIYSFDNRJJI-FCUBIXSHSA-N
Chemical Structure
2D Structure
2D structure of (5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
CAS: 863971-44-2
CID: 60042710
Formula: C36H51N3O7
MW: 637.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.8
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass637.37270097
Monoisotopic Mass637.37270097
Topological Polar Surface Area125 Ų
Heavy Atom Count46
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T22334-01FMOC-3VVD-OH
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