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173859-32-0

173859-32-0 | Glycine, L-arginyl-L-prolyl-L-leucylglycyl-L-isoleucyl-L-isoleucylglycyl- (9CI)

CAS No: 173859-32-0 Catalog No: AG001Z90 MDL No:

Product Description

Catalog Number:
AG001Z90
Chemical Name:
Glycine, L-arginyl-L-prolyl-L-leucylglycyl-L-isoleucyl-L-isoleucylglycyl- (9CI)
CAS Number:
173859-32-0
Molecular Formula:
C35H63N11O9
Molecular Weight:
781.9430
IUPAC Name:
2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C35H63N11O9/c1-7-20(5)28(32(53)42-16-25(47)40-18-27(49)50)45-33(54)29(21(6)8-2)44-26(48)17-41-30(51)23(15-19(3)4)43-31(52)24-12-10-14-46(24)34(55)22(36)11-9-13-39-35(37)38/h19-24,28-29H,7-18,36H2,1-6H3,(H,40,47)(H,41,51)(H,42,53)(H,43,52)(H,44,48)(H,45,54)(H,49,50)(H4,37,38,39)/t20-,21-,22-,23-,24-,28-,29-/m0/s1
InChI Key:
NCWKMFBONFAXGO-IWIWXMQLSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)[C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)CC(C)C)C

Properties

Complexity:
1370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
781.481g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
781.957g/mol
Monoisotopic Mass:
781.481g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
323A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6  

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