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160623-01-8 | D-Tryptophan, N-[N-[(1,1-dimethylethoxy)carbonyl]-D-tryptophyl]- (9CI)
CAS No: 160623-01-8 Catalog No: AG001S2N MDL No:
Product Description
Catalog Number:
AG001S2N
Chemical Name:
D-Tryptophan, N-[N-[(1,1-dimethylethoxy)carbonyl]-D-tryptophyl]- (9CI)
CAS Number:
160623-01-8
Molecular Formula:
C27H30N4O5
Molecular Weight:
490.5509
IUPAC Name:
(2R)-3-(1H-indol-3-yl)-2-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
InChI:
InChI=1S/C27H30N4O5/c1-27(2,3)36-26(35)31-22(12-16-14-28-20-10-6-4-8-18(16)20)24(32)30-23(25(33)34)13-17-15-29-21-11-7-5-9-19(17)21/h4-11,14-15,22-23,28-29H,12-13H2,1-3H3,(H,30,32)(H,31,35)(H,33,34)/t22-,23-/m1/s1
InChI Key:
ZPYPARPDPMPFPW-DHIUTWEWSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
490.222g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
490.56g/mol
Monoisotopic Mass:
490.222g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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