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162380-67-8 | L-Leucinamide, D-tryptophyl-L-arginyl- (9CI)
CAS No: 162380-67-8 Catalog No: AG001T2G MDL No:
Product Description
Catalog Number:
AG001T2G
Chemical Name:
L-Leucinamide, D-tryptophyl-L-arginyl- (9CI)
CAS Number:
162380-67-8
Molecular Formula:
C23H36N8O3
Molecular Weight:
472.5837
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanamide
InChI:
InChI=1S/C23H36N8O3/c1-13(2)10-19(20(25)32)31-22(34)18(8-5-9-28-23(26)27)30-21(33)16(24)11-14-12-29-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,29H,5,8-11,24H2,1-2H3,(H2,25,32)(H,30,33)(H,31,34)(H4,26,27,28)/t16-,18+,19+/m1/s1
InChI Key:
QIBJHKZBFDKWDP-NEWSRXKRSA-N
SMILES:
CC(C[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N)CCCNC(=N)N)C
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
472.291g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
472.594g/mol
Monoisotopic Mass:
472.291g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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