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145617-92-1

145617-92-1 | L-Argininamide, L-arginyl-L-arginyl-L-tryptophyl-L-glutaminyl-L-tryptophyl-

CAS No: 145617-92-1 Catalog No: AG001D88 MDL No:

Product Description

Catalog Number:
AG001D88
Chemical Name:
L-Argininamide, L-arginyl-L-arginyl-L-tryptophyl-L-glutaminyl-L-tryptophyl-
CAS Number:
145617-92-1
Molecular Formula:
C45H67N19O7
Molecular Weight:
986.1366
IUPAC Name:
N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanediamide
InChI:
InChI=1S/C45H67N19O7/c46-28(10-5-17-55-43(49)50)38(67)61-32(14-7-19-57-45(53)54)39(68)63-35(21-25-23-59-30-12-4-2-9-27(25)30)42(71)62-33(15-16-36(47)65)40(69)64-34(20-24-22-58-29-11-3-1-8-26(24)29)41(70)60-31(37(48)66)13-6-18-56-44(51)52/h1-4,8-9,11-12,22-23,28,31-35,58-59H,5-7,10,13-21,46H2,(H2,47,65)(H2,48,66)(H,60,70)(H,61,67)(H,62,71)(H,63,68)(H,64,69)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)
InChI Key:
FOZYYTPJGULBPQ-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[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)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)CCC(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCNC(=N)N)N

Properties

Complexity:
1890  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
985.547g/mol
Formal Charge:
0
Heavy Atom Count:
71  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
986.157g/mol
Monoisotopic Mass:
985.547g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
483A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4  

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