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852446-02-7

852446-02-7 | L-Tryptophan, L-seryl-L-leucyl-L-tryptophyl-L-prolyl-L-alanyl-L-phenylalanyl-

CAS No: 852446-02-7 Catalog No: AG004PTR MDL No:

Product Description

Catalog Number:
AG004PTR
Chemical Name:
L-Tryptophan, L-seryl-L-leucyl-L-tryptophyl-L-prolyl-L-alanyl-L-phenylalanyl-
CAS Number:
852446-02-7
Molecular Formula:
C48H59N9O9
Molecular Weight:
906.0370
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C48H59N9O9/c1-27(2)20-37(54-43(60)34(49)26-58)44(61)55-39(22-30-24-50-35-16-9-7-14-32(30)35)47(64)57-19-11-18-41(57)46(63)52-28(3)42(59)53-38(21-29-12-5-4-6-13-29)45(62)56-40(48(65)66)23-31-25-51-36-17-10-8-15-33(31)36/h4-10,12-17,24-25,27-28,34,37-41,50-51,58H,11,18-23,26,49H2,1-3H3,(H,52,63)(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,65,66)/t28-,34-,37-,38-,39-,40-,41-/m0/s1
InChI Key:
YJXHKPNTLPFNLU-LLHXWXQDSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)C)Cc1c[nH]c2c1cccc2)CC(C)C)N

Properties

Complexity:
1700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
905.444g/mol
Formal Charge:
0
Heavy Atom Count:
66  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
906.054g/mol
Monoisotopic Mass:
905.444g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
281A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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