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GPRP acetate 200mg

CAT: 0628-A22718-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A22718-200Size:200 mg
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CAS Number
157009-81-9

Chemical Information

GPRP acetate
CAS Number157009-81-9
PubChem CID118986652
IUPAC Nameacetic acid;(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC20H35N7O7
Molecular Weight485.5
Topological Polar Surface Area235
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity725
SMILES
CC(=O)O.C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C18H31N7O5.C2H4O2/c19-10-14(26)24-8-2-5-12(24)15(27)23-11(4-1-7-22-18(20)21)16(28)25-9-3-6-13(25)17(29)30;1-2(3)4/h11-13H,1-10,19H2,(H,23,27)(H,29,30)(H4,20,21,22);1H3,(H,3,4)/t11-,12-,13-;/m0./s1
InChIKey
ZYTSTPIIKNCGRE-QKWXXBCPSA-N
Chemical Structure
2D Structure
2D structure of GPRP acetate
CAS: 157009-81-9
CID: 118986652
Formula: C20H35N7O7
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass485.25979648
Monoisotopic Mass485.25979648
Topological Polar Surface Area235 Ų
Heavy Atom Count34
Formal Charge0
Complexity725
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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