DAMGO 100mg

CAT: 0628-A22491-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A22491-100Size:100 mg

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CAS Number

78123-71-4

Chemical Information

Damgo

(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin is a peptide.

CAS Number	78123-71-4
PubChem CID	5462471
IUPAC Name	(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular Formula	C26H35N5O6
Molecular Weight	513.6
XLogP	0.2
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Heavy Atom Count	37
Formal Charge	0
Complexity	752

SMILES

C[C@H](C(=O)NCC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)NCCO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1

InChIKey

HPZJMUBDEAMBFI-WTNAPCKOSA-N

Chemical Structure

2D Structure

CAS: 78123-71-4

CID: 5462471

Formula: C26H35N5O6

MW: 513.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	513.6
XLogP3	0.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	513.25873385
Monoisotopic Mass	513.25873385
Topological Polar Surface Area	174 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	752
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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