Anrikefon acetate

CAT: 1299-RM-A141100-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A141100-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2584931-05-3

Synonyms

(R) -N- ((R) -1- (2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl) -6-amino-1-oxohexan-2-yl) -2- ((R) -2- ((R) -2-amino-3-phenylpropanamido) -3-phenylpropanamido) -4-methylpentanamide acetate

Molecular Formula

C39H57N7O5 C2H4O2

Molecular Weight

703.93 60.05

Target Alternative Name

Anrikefon

Chemical Information

Anrikefon acetate

CAS Number	2584931-05-3
PubChem CID	168265997
IUPAC Name	acetic acid;(2R)-N-[(2R)-1-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-amino-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular Formula	C41H61N7O7
Molecular Weight	764.0
Topological Polar Surface Area	217
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Heavy Atom Count	55
Formal Charge	0
Complexity	1180

SMILES

CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)CN(C2)C(=O)C)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)N.CC(=O)O

InChI

InChI=1S/C39H57N7O5.C2H4O2/c1-27(2)22-33(36(49)42-32(16-10-11-19-40)38(51)45-20-17-39(18-21-45)25-46(26-39)28(3)47)44-37(50)34(24-30-14-8-5-9-15-30)43-35(48)31(41)23-29-12-6-4-7-13-29;1-2(3)4/h4-9,12-15,27,31-34H,10-11,16-26,40-41H2,1-3H3,(H,42,49)(H,43,48)(H,44,50);1H3,(H,3,4)/t31-,32-,33-,34-;/m1./s1

InChIKey

HHHGOGUNHJGVTN-BBOJDXSOSA-N

Chemical Structure

2D Structure

CAS: 2584931-05-3

CID: 168265997

Formula: C41H61N7O7

MW: 764.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	764.0
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Exact Mass	763.46324731
Monoisotopic Mass	763.46324731
Topological Polar Surface Area	217 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1180
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Anrikefon acetate

Chemical Information

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