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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...
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