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138168-46-4

138168-46-4 | L-Leucine, N-[N-[N-(N-L-arginyl-L-phenylalanyl)-L-tyrosyl]-L-seryl]- (9CI)

CAS No: 138168-46-4 Catalog No: AG001831 MDL No:

Product Description

Catalog Number:
AG001831
Chemical Name:
L-Leucine, N-[N-[N-(N-L-arginyl-L-phenylalanyl)-L-tyrosyl]-L-seryl]- (9CI)
CAS Number:
138168-46-4
Molecular Formula:
C33H48N8O8
Molecular Weight:
684.7830
IUPAC Name:
2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C33H48N8O8/c1-19(2)15-26(32(48)49)40-31(47)27(18-42)41-30(46)25(17-21-10-12-22(43)13-11-21)39-29(45)24(16-20-7-4-3-5-8-20)38-28(44)23(34)9-6-14-37-33(35)36/h3-5,7-8,10-13,19,23-27,42-43H,6,9,14-18,34H2,1-2H3,(H,38,44)(H,39,45)(H,40,47)(H,41,46)(H,48,49)(H4,35,36,37)
InChI Key:
KVYJTOIBSZMHPL-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)Cc1ccccc1)Cc1ccc(cc1)O

Properties

Complexity:
1100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.36g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
684.795g/mol
Monoisotopic Mass:
684.36g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
285A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8  

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