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192696-23-4 | L-Histidine, L-leucyl-L-phenylalanyl-
CAS No: 192696-23-4 Catalog No: AG002G7P MDL No:
Product Description
Catalog Number:
AG002G7P
Chemical Name:
L-Histidine, L-leucyl-L-phenylalanyl-
CAS Number:
192696-23-4
Molecular Formula:
C21H29N5O4
Molecular Weight:
415.4861
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C21H29N5O4/c1-13(2)8-16(22)19(27)25-17(9-14-6-4-3-5-7-14)20(28)26-18(21(29)30)10-15-11-23-12-24-15/h3-7,11-13,16-18H,8-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t16-,17-,18-/m0/s1
InChI Key:
KTOIECMYZZGVSI-BZSNNMDCSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]cn1)Cc1ccccc1)N)C
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
415.222g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
415.494g/mol
Monoisotopic Mass:
415.222g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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