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139933-55-4

139933-55-4 | L-Glutamic acid, N-[N-[N-(N-L-cysteinyl-L-alanyl)-L-tryptophyl]-L-leucyl]- (9CI)

CAS No: 139933-55-4 Catalog No: AG001BU8 MDL No:

Product Description

Catalog Number:
AG001BU8
Chemical Name:
L-Glutamic acid, N-[N-[N-(N-L-cysteinyl-L-alanyl)-L-tryptophyl]-L-leucyl]- (9CI)
CAS Number:
139933-55-4
Molecular Formula:
C28H40N6O8S
Molecular Weight:
620.7176
IUPAC Name:
2-[[2-[[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C28H40N6O8S/c1-14(2)10-21(26(39)32-20(28(41)42)8-9-23(35)36)34-27(40)22(11-16-12-30-19-7-5-4-6-17(16)19)33-24(37)15(3)31-25(38)18(29)13-43/h4-7,12,14-15,18,20-22,30,43H,8-11,13,29H2,1-3H3,(H,31,38)(H,32,39)(H,33,37)(H,34,40)(H,35,36)(H,41,42)
InChI Key:
PNNPJMHYDHVZQK-UHFFFAOYSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)C)N

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.263g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
620.722g/mol
Monoisotopic Mass:
620.263g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  

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