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13116-21-7 | L-Phenylalanine, glycyl-L-phenylalanyl-
CAS No: 13116-21-7 Catalog No: AG000VMY MDL No:MFCD00038183
Product Description
Catalog Number:
AG000VMY
Chemical Name:
L-Phenylalanine, glycyl-L-phenylalanyl-
CAS Number:
13116-21-7
Molecular Formula:
C20H23N3O4
Molecular Weight:
369.4143
MDL Number:
MFCD00038183
IUPAC Name:
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C20H23N3O4/c21-13-18(24)22-16(11-14-7-3-1-4-8-14)19(25)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,22,24)(H,23,25)(H,26,27)/t16-,17-/m0/s1
InChI Key:
FEUPVVCGQLNXNP-IRXDYDNUSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
EC Number:
236-042-3
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
369.169g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
369.421g/mol
Monoisotopic Mass:
369.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Computational structure-activity study directs synthesis of novel antitumor enkephalin analogs. | Amino acids 20100401 |
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