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137415-14-6

137415-14-6 | L-Proline, L-alanyl-L-tryptophyl-L-tryptophyl-

CAS No: 137415-14-6 Catalog No: AG00139D MDL No:

Product Description

Catalog Number:
AG00139D
Chemical Name:
L-Proline, L-alanyl-L-tryptophyl-L-tryptophyl-
CAS Number:
137415-14-6
Molecular Formula:
C30H34N6O5
Molecular Weight:
558.6282
IUPAC Name:
1-[2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C30H34N6O5/c1-17(31)27(37)34-24(13-18-15-32-22-9-4-2-7-20(18)22)28(38)35-25(29(39)36-12-6-11-26(36)30(40)41)14-19-16-33-23-10-5-3-8-21(19)23/h2-5,7-10,15-17,24-26,32-33H,6,11-14,31H2,1H3,(H,34,37)(H,35,38)(H,40,41)
InChI Key:
WOKCYRLQUWITMT-UHFFFAOYSA-N
SMILES:
O=C([C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1c[nH]c2c1cccc2

Properties

Complexity:
979  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.259g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
558.639g/mol
Monoisotopic Mass:
558.259g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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