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13254-07-4 | L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-
CAS No: 13254-07-4 Catalog No: AG0010SX MDL No:MFCD00020422
Product Description
Catalog Number:
AG0010SX
Chemical Name:
L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-
CAS Number:
13254-07-4
Molecular Formula:
C23H28N2O5
Molecular Weight:
412.4788
MDL Number:
MFCD00020422
IUPAC Name:
(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t16-,19-,20-/m0/s1
InChI Key:
ARWIWKBRNYMFJM-VDGAXYAQSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)OCc1ccccc1)C
EC Number:
236-242-0
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
412.2g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.486g/mol
Monoisotopic Mass:
412.2g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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