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832697-15-1

832697-15-1 | L-Arginine, L-arginylglycylglycyl-L-tryptophylglycylglycylglycylglycylglycyl-

CAS No: 832697-15-1 Catalog No: AG004YD2 MDL No:

Product Description

Catalog Number:
AG004YD2
Chemical Name:
L-Arginine, L-arginylglycylglycyl-L-tryptophylglycylglycylglycylglycylglycyl-
CAS Number:
832697-15-1
Molecular Formula:
C37H57N17O11
Molecular Weight:
915.9558
IUPAC Name:
(2S)-2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C37H57N17O11/c38-22(6-3-9-43-36(39)40)33(62)51-16-29(58)50-19-32(61)54-25(11-20-12-45-23-7-2-1-5-21(20)23)34(63)52-17-30(59)48-14-27(56)46-13-26(55)47-15-28(57)49-18-31(60)53-24(35(64)65)8-4-10-44-37(41)42/h1-2,5,7,12,22,24-25,45H,3-4,6,8-11,13-19,38H2,(H,46,56)(H,47,55)(H,48,59)(H,49,57)(H,50,58)(H,51,62)(H,52,63)(H,53,60)(H,54,61)(H,64,65)(H4,39,40,43)(H4,41,42,44)/t22-,24-,25-/m0/s1
InChI Key:
HZODNQBWXHXNMI-HVCNVCAESA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)N

Properties

Complexity:
1740  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
915.442g/mol
Formal Charge:
0
Heavy Atom Count:
65  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
915.971g/mol
Monoisotopic Mass:
915.442g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
470A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.9  

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