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Epsilon-V1-2 10mg

CAT: 0628-A22765-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A22765-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
182683-50-7

Chemical Information

Epsilon-V1-2
CAS Number182683-50-7
PubChem CID10147482
IUPAC Name(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC37H65N9O13
Molecular Weight844.0
XLogP-6.9
Topological Polar Surface Area362
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count26
Heavy Atom Count59
Formal Charge0
Complexity1480
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N)O
InChI
InChI=1S/C37H65N9O13/c1-18(2)16-24(32(53)41-23(10-7-8-14-38)36(57)46-15-9-11-26(46)34(55)45-29(21(6)48)37(58)59)42-33(54)25(17-47)43-35(56)28(19(3)4)44-30(51)20(5)40-31(52)22(39)12-13-27(49)50/h18-26,28-29,47-48H,7-17,38-39H2,1-6H3,(H,40,52)(H,41,53)(H,42,54)(H,43,56)(H,44,51)(H,45,55)(H,49,50)(H,58,59)/t20-,21+,22-,23-,24-,25-,26-,28-,29-/m0/s1
InChIKey
KNTBAGOTDJPUJV-XMTFRXHISA-N
Chemical Structure
2D Structure
2D structure of Epsilon-V1-2
CAS: 182683-50-7
CID: 10147482
Formula: C37H65N9O13
MW: 844.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight844.0
XLogP3-6.9
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count26
Exact Mass843.47018316
Monoisotopic Mass843.47018316
Topological Polar Surface Area362 Ų
Heavy Atom Count59
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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