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870271-10-6

870271-10-6 | L-Alanine, L-leucyl-L-leucylglycyl-L-prolyl-L-arginyl-L-leucyl-L-valyl-L-leucyl-

CAS No: 870271-10-6 Catalog No: AG004NJZ MDL No:

Product Description

Catalog Number:
AG004NJZ
Chemical Name:
L-Alanine, L-leucyl-L-leucylglycyl-L-prolyl-L-arginyl-L-leucyl-L-valyl-L-leucyl-
CAS Number:
870271-10-6
Molecular Formula:
C45H82N12O10
Molecular Weight:
951.2070
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
InChI:
InChI=1S/C45H82N12O10/c1-23(2)18-29(46)37(59)53-31(19-24(3)4)38(60)50-22-35(58)57-17-13-15-34(57)42(64)52-30(14-12-16-49-45(47)48)39(61)54-33(21-26(7)8)41(63)56-36(27(9)10)43(65)55-32(20-25(5)6)40(62)51-28(11)44(66)67/h23-34,36H,12-22,46H2,1-11H3,(H,50,60)(H,51,62)(H,52,64)(H,53,59)(H,54,61)(H,55,65)(H,56,63)(H,66,67)(H4,47,48,49)/t28-,29-,30-,31-,32-,33-,34-,36-/m0/s1
InChI Key:
MZLVQWBVPAWQRG-QTRQOAAHSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CC(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C)CCCNC(=N)N)C

Properties

Complexity:
1720  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
950.628g/mol
Formal Charge:
0
Heavy Atom Count:
67  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
951.225g/mol
Monoisotopic Mass:
950.628g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
352A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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