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114475-49-9 | L-Leucine, N-[N-[N-(N-L-tyrosyl-D-histidyl)glycyl]-L-phenylalanyl]- (9CI)
CAS No: 114475-49-9 Catalog No: AG000EHF MDL No:
Product Description
Catalog Number:
AG000EHF
Chemical Name:
L-Leucine, N-[N-[N-(N-L-tyrosyl-D-histidyl)glycyl]-L-phenylalanyl]- (9CI)
CAS Number:
114475-49-9
Molecular Formula:
C32H41N7O7
Molecular Weight:
635.7106
IUPAC Name:
2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C32H41N7O7/c1-19(2)12-27(32(45)46)39-31(44)25(14-20-6-4-3-5-7-20)37-28(41)17-35-30(43)26(15-22-16-34-18-36-22)38-29(42)24(33)13-21-8-10-23(40)11-9-21/h3-11,16,18-19,24-27,40H,12-15,17,33H2,1-2H3,(H,34,36)(H,35,43)(H,37,41)(H,38,42)(H,39,44)(H,45,46)
InChI Key:
AHNQPWDUJDJHKA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1)Cc1c[nH]cn1)N
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.307g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
635.722g/mol
Monoisotopic Mass:
635.307g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
229A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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