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123600-63-5

123600-63-5 | L-Leucinamide, L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-

CAS No: 123600-63-5 Catalog No: AG000KTY MDL No:

Product Description

Catalog Number:
AG000KTY
Chemical Name:
L-Leucinamide, L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-
CAS Number:
123600-63-5
Molecular Formula:
C39H55N13O7
Molecular Weight:
817.9369
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanamide
InChI:
InChI=1S/C39H55N13O7/c1-20(2)10-29(34(41)54)50-38(58)31(13-25-16-43-19-47-25)49-32(53)17-45-39(59)33(21(3)4)52-35(55)22(5)48-37(57)30(11-23-14-44-28-9-7-6-8-26(23)28)51-36(56)27(40)12-24-15-42-18-46-24/h6-9,14-16,18-22,27,29-31,33,44H,10-13,17,40H2,1-5H3,(H2,41,54)(H,42,46)(H,43,47)(H,45,59)(H,48,57)(H,49,53)(H,50,58)(H,51,56)(H,52,55)/t22-,27-,29-,30-,31-,33-/m0/s1
InChI Key:
FGESJEHAMMAKMN-QDKRQCRGSA-N
SMILES:
CC(C[C@@H](C(=O)N)NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1nc[nH]c1)N)C)C

Properties

Complexity:
1470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
817.435g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
817.953g/mol
Monoisotopic Mass:
817.435g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
317A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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