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Bpc 157

CAT: 1299-RG-A261576-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261576-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137525-51-0
Synonyms
L-Valine, (2S,5S,11S,14S,17S) -14- (carboxymethyl) -17- ((S) -2- ((S) -1- (glycyl-L-glutamyl-L-prolyl-L-prolyl-L-prolylglycyl-L-lysyl) pyrrolidine-2-carboxamido) propanamido) -5-isobutyl-2-isopropyl-11-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazanonadecanedioic
Molecular Formula
C62H98N16O22
Molecular Weight
1419.56
Product Name Synonym
L-Valine, (2S,5S,11S,14S,17S) -14- (carboxymethyl) -17- ((S) -2- ((S) -1- (glycyl-L-glutamyl-L-prolyl-L-prolyl-L-prolylglycyl-L-lysyl) pyrrolidine-2-carboxamido) propanamido) -5-isobutyl-2-isopropyl-11-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazanonadecanedioic

Chemical Information

Bpc-157

Bepecin is under investigation in clinical trial NCT02637284 (PCO-02 - Safety and Pharmacokinetics Trial).

CAS Number137525-51-0
PubChem CID9941957
IUPAC Name(4S)-4-[(2-aminoacetyl)amino]-5-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-oxopentanoic acid
Molecular FormulaC62H98N16O22
Molecular Weight1419.5
XLogP-9
Topological Polar Surface Area573
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count39
Heavy Atom Count100
Formal Charge0
Complexity3040
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CN
InChI
InChI=1S/C62H98N16O22/c1-31(2)25-37(55(92)74-50(32(3)4)62(99)100)71-46(81)29-65-51(88)33(5)67-53(90)38(26-48(84)85)73-54(91)39(27-49(86)87)72-52(89)34(6)68-57(94)41-15-10-21-75(41)58(95)35(13-7-8-20-63)70-45(80)30-66-56(93)40-14-9-22-76(40)60(97)43-17-12-24-78(43)61(98)42-16-11-23-77(42)59(96)36(18-19-47(82)83)69-44(79)28-64/h31-43,50H,7-30,63-64H2,1-6H3,(H,65,88)(H,66,93)(H,67,90)(H,68,94)(H,69,79)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,92)(H,82,83)(H,84,85)(H,86,87)(H,99,100)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-/m0/s1
InChIKey
HEEWEZGQMLZMFE-RKGINYAYSA-N
Chemical Structure
2D Structure
2D structure of Bpc-157
CAS: 137525-51-0
CID: 9941957
Formula: C62H98N16O22
MW: 1419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1419.5
XLogP3-9
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count39
Exact Mass1418.70415882
Monoisotopic Mass1418.70415882
Topological Polar Surface Area573 Ų
Heavy Atom Count100
Formal Charge0
Complexity3040
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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