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20762-34-9 | L-Tyrosine, N-[N-[(phenylmethoxy)carbonyl]-L-tryptophyl]- (9CI)
CAS No: 20762-34-9 Catalog No: AG002J6X MDL No:
Product Description
Catalog Number:
AG002J6X
Chemical Name:
L-Tyrosine, N-[N-[(phenylmethoxy)carbonyl]-L-tryptophyl]- (9CI)
CAS Number:
20762-34-9
Molecular Formula:
C28H27N3O6
Molecular Weight:
501.5305
IUPAC Name:
3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C28H27N3O6/c32-21-12-10-18(11-13-21)14-25(27(34)35)30-26(33)24(15-20-16-29-23-9-5-4-8-22(20)23)31-28(36)37-17-19-6-2-1-3-7-19/h1-13,16,24-25,29,32H,14-15,17H2,(H,30,33)(H,31,36)(H,34,35)
InChI Key:
SMLAYVNSQQMPHO-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)OCc1ccccc1
NSC Number:
333737
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.19g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
501.539g/mol
Monoisotopic Mass:
501.19g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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