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13123-00-7 | L-Valine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS No: 13123-00-7 Catalog No: AG000VRV MDL No:MFCD00191141
Product Description
Catalog Number:
AG000VRV
Chemical Name:
L-Valine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS Number:
13123-00-7
Molecular Formula:
C22H26N2O5
Molecular Weight:
398.4522
MDL Number:
MFCD00191141
IUPAC Name:
(2S)-3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
InChI:
InChI=1S/C22H26N2O5/c1-15(2)19(21(26)27)24-20(25)18(13-16-9-5-3-6-10-16)23-22(28)29-14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)/t18-,19-/m0/s1
InChI Key:
AJQYZRHQCXCROF-OALUTQOASA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccccc1)OCc1ccccc1
EC Number:
236-053-3
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
398.184g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
398.459g/mol
Monoisotopic Mass:
398.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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