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147490-49-1

147490-49-1 | L-Methioninamide, glycyl-L-seryl-L-asparaginyl-L-lysylglycyl-L-alanyl-L-isoleucyl-L-isoleucylglycyl-L-leucyl-

CAS No: 147490-49-1 Catalog No: AG001EWZ MDL No:

Product Description

Catalog Number:
AG001EWZ
Chemical Name:
L-Methioninamide, glycyl-L-seryl-L-asparaginyl-L-lysylglycyl-L-alanyl-L-isoleucyl-L-isoleucylglycyl-L-leucyl-
CAS Number:
147490-49-1
Molecular Formula:
C45H82N14O13S
Molecular Weight:
1059.2836
IUPAC Name:
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-N-[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]butanediamide
InChI:
InChI=1S/C45H82N14O13S/c1-9-24(5)36(44(71)51-21-35(64)53-29(17-23(3)4)41(68)55-27(38(49)65)14-16-73-8)59-45(72)37(25(6)10-2)58-39(66)26(7)52-34(63)20-50-40(67)28(13-11-12-15-46)56-42(69)30(18-32(48)61)57-43(70)31(22-60)54-33(62)19-47/h23-31,36-37,60H,9-22,46-47H2,1-8H3,(H2,48,61)(H2,49,65)(H,50,67)(H,51,71)(H,52,63)(H,53,64)(H,54,62)(H,55,68)(H,56,69)(H,57,70)(H,58,66)(H,59,72)/t24-,25-,26-,27-,28-,29-,30-,31-,36-,37-/m0/s1
InChI Key:
RDYXSAAQWCBCIY-SLVFWPMISA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)[C@H](CC)C)[C@H](CC)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CO)CC(=O)N

Properties

Complexity:
1880  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
1058.591g/mol
Formal Charge:
0
Heavy Atom Count:
73  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
1059.296g/mol
Monoisotopic Mass:
1058.591g/mol
Rotatable Bond Count:
37  
Topological Polar Surface Area:
475A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3  

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