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141923-40-2

141923-40-2 | L-Aspartamide, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-L-arginyl-

CAS No: 141923-40-2 Catalog No: AG001HEF MDL No:

Product Description

Catalog Number:
AG001HEF
Chemical Name:
L-Aspartamide, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-L-arginyl-
CAS Number:
141923-40-2
Molecular Formula:
C34H57N11O8
Molecular Weight:
747.8853
IUPAC Name:
(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C34H56N10O9/c1-18(2)13-24(31(51)40-22(11-8-12-39-34(37)38)30(50)41-23(28(36)48)16-27(46)47)43-32(52)25(14-19(3)4)44-33(53)26(42-29(49)21(35)17-45)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,45H,8,11-17,35H2,1-4H3,(H2,36,48)(H,40,51)(H,41,50)(H,42,49)(H,43,52)(H,44,53)(H,46,47)(H4,37,38,39)/t21-,22-,23-,24-,25-,26-/m0/s1
InChI Key:
HZVWQIJWKQDCFE-FRSCJGFNSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)CC(C)C)CC(C)C)Cc1ccccc1)N

Properties

Complexity:
1270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
748.423g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
748.883g/mol
Monoisotopic Mass:
748.423g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
337A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8  

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