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918405-70-6

918405-70-6 | L-Serine, L-tyrosyl-L-seryl-L-alanyl-L-asparaginyl-L-lysyl-L-leucyl-L-alanyl-

CAS No: 918405-70-6 Catalog No: AG006G0V MDL No:

Product Description

Catalog Number:
AG006G0V
Chemical Name:
L-Serine, L-tyrosyl-L-seryl-L-alanyl-L-asparaginyl-L-lysyl-L-leucyl-L-alanyl-
CAS Number:
918405-70-6
Molecular Formula:
C37H60N10O13
Molecular Weight:
852.9315
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C37H60N10O13/c1-18(2)13-25(34(56)41-20(4)31(53)47-28(17-49)37(59)60)45-33(55)24(7-5-6-12-38)43-35(57)26(15-29(40)51)44-30(52)19(3)42-36(58)27(16-48)46-32(54)23(39)14-21-8-10-22(50)11-9-21/h8-11,18-20,23-28,48-50H,5-7,12-17,38-39H2,1-4H3,(H2,40,51)(H,41,56)(H,42,58)(H,43,57)(H,44,52)(H,45,55)(H,46,54)(H,47,53)(H,59,60)/t19-,20-,23-,24-,25-,26-,27-,28-/m0/s1
InChI Key:
SUGIUMUHGCADEC-BGZIUGQASA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CO)C)CC(=O)N

Properties

Complexity:
1480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
852.434g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
852.944g/mol
Monoisotopic Mass:
852.434g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
397A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.1  

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