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129980-23-0 | L-Tryptophan, N-[[1-(2-carboxy-4-phenylbutyl)cyclopentyl]carbonyl]-
CAS No: 129980-23-0 Catalog No: AG000TUP MDL No:
Product Description
Catalog Number:
AG000TUP
Chemical Name:
L-Tryptophan, N-[[1-(2-carboxy-4-phenylbutyl)cyclopentyl]carbonyl]-
CAS Number:
129980-23-0
Molecular Formula:
C28H32N2O5
Molecular Weight:
476.5641
IUPAC Name:
2-[[1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
InChI:
InChI=1S/C28H32N2O5/c31-25(32)20(13-12-19-8-2-1-3-9-19)17-28(14-6-7-15-28)27(35)30-24(26(33)34)16-21-18-29-23-11-5-4-10-22(21)23/h1-5,8-11,18,20,24,29H,6-7,12-17H2,(H,30,35)(H,31,32)(H,33,34)/t20?,24-/m0/s1
InChI Key:
MPZIROHQGMKFGS-JWIMYKKASA-N
SMILES:
OC(=O)C(CC1(CCCC1)C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CCc1ccccc1
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
476.231g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
476.573g/mol
Monoisotopic Mass:
476.231g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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