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Indospicine

CAT: 0926-RAA37700-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-RAA37700-02Size:1 g
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CAS Number
16377-00-7
Smiles
C (CCCC (=N) N) [C@@H] (C (O) =O) N
Molecular Formula
C7H15N3O2
Molecular Weight
173.21 g/mol
Controlled
No

Chemical Information

Indospicine

L-indospicine is an alpha-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2S stereoisomer). It has a role as a hepatotoxic agent and a plant metabolite. It is a carboxamidine and a non-proteinogenic L-alpha-amino acid.

CAS Number16377-00-7
PubChem CID108010
IUPAC Name(2S)-2,7-diamino-7-iminoheptanoic acid
Molecular FormulaC7H15N3O2
Molecular Weight173.21
XLogP-3.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
C(CCC(=N)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1
InChIKey
SILQDLDAWPQMEL-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of Indospicine
CAS: 16377-00-7
CID: 108010
Formula: C7H15N3O2
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP3-3.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass173.116426730
Monoisotopic Mass173.116426730
Topological Polar Surface Area113 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-I392810-50MGIndospicine
TRC-I392812-100MGL-Indospicine-D3 Hydrochloride

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