Cyclo (RGDyC) 10mg

CAT: 0628-A23200-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A23200-10Size:10 mg

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CAS Number

1206475-79-7

Chemical Information

Cyclo(RGDyC)

CAS Number	1206475-79-7
PubChem CID	45107825
IUPAC Name	2-[(2S,5R,8R,11S)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-8-(sulfanylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular Formula	C24H34N8O8S
Molecular Weight	594.6
XLogP	-2.6
Topological Polar Surface Area	268
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	41
Formal Charge	0
Complexity	1000

SMILES

C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CS)CC2=CC=C(C=C2)O)CC(=O)O

InChI

InChI=1S/C24H34N8O8S/c25-24(26)27-7-1-2-14-20(37)28-10-18(34)29-16(9-19(35)36)22(39)31-15(8-12-3-5-13(33)6-4-12)21(38)32-17(11-41)23(40)30-14/h3-6,14-17,33,41H,1-2,7-11H2,(H,28,37)(H,29,34)(H,30,40)(H,31,39)(H,32,38)(H,35,36)(H4,25,26,27)/t14-,15+,16-,17-/m0/s1

InChIKey

MOAUBYMRAXXSJA-YVSFHVDLSA-N

Chemical Structure

2D Structure

CAS: 1206475-79-7

CID: 45107825

Formula: C24H34N8O8S

MW: 594.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	594.6
XLogP3	-2.6
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	594.22203125
Monoisotopic Mass	594.22203125
Topological Polar Surface Area	268 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	1000
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	1
Compound Is Canonicalized	Yes

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GTR19034640-01	Cyclo (RGDyC)
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Cyclo (RGDyC) 10mg

Chemical Information

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