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DOP-DEDA

CAT: 0013-GTR19248656-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248656-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DOP-DEDA is a reagent used in biochemical reactions.
CAS Number
2247753-10-0
Smiles
NCCNCCOP (OC[C@@H] (COC (CCCCCCC/C=C\CCCCCCCC) =O) OC (CCCCCCC/C=C\CCCCCCCC) =O) (O) =O
Molecular Formula
C43H83N2O8P
Molecular Weight
787.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CAS Number2247753-10-0
PubChem CID155859196
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC37H55N9O17
Molecular Weight897.9
XLogP-7.2
Topological Polar Surface Area420
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count27
Heavy Atom Count63
Formal Charge0
Complexity1790
SMILES
C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C37H55N9O17/c1-17-10-12-39-29(17)35(60)40-11-4-3-6-21(43-30(55)19(38)14-26(49)50)36(61)46-13-5-7-24(46)34(59)45-23(16-28(53)54)33(58)42-20(8-9-25(47)48)31(56)44-22(15-27(51)52)32(57)41-18(2)37(62)63/h12,17-24,29H,3-11,13-16,38H2,1-2H3,(H,40,60)(H,41,57)(H,42,58)(H,43,55)(H,44,56)(H,45,59)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,62,63)/t17-,18+,19+,20+,21+,22+,23+,24+,29-/m1/s1
InChIKey
GXNVUPVJPFTBLU-SXGYBMSWSA-N
Chemical Structure
2D Structure
2D structure of (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CAS: 2247753-10-0
CID: 155859196
Formula: C37H55N9O17
MW: 897.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight897.9
XLogP3-7.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count27
Exact Mass897.37159132
Monoisotopic Mass897.37159132
Topological Polar Surface Area420 Ų
Heavy Atom Count63
Formal Charge0
Complexity1790
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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