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821776-24-3 | D-Proline, D-tryptophyl-
CAS No: 821776-24-3 Catalog No: AG0051BP MDL No:
Product Description
Catalog Number:
AG0051BP
Chemical Name:
D-Proline, D-tryptophyl-
CAS Number:
821776-24-3
Molecular Formula:
C16H19N3O3
Molecular Weight:
301.3404
IUPAC Name:
(2R)-1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m1/s1
InChI Key:
DXYQIGZZWYBXSD-TZMCWYRMSA-N
SMILES:
OC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
301.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.346g/mol
Monoisotopic Mass:
301.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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