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827613-31-0 | L-Phenylalanine, N-[(phenylamino)carbonyl]-L-leucylglycyl-
CAS No: 827613-31-0 Catalog No: AG004Y52 MDL No:
Product Description
Catalog Number:
AG004Y52
Chemical Name:
L-Phenylalanine, N-[(phenylamino)carbonyl]-L-leucylglycyl-
CAS Number:
827613-31-0
Molecular Formula:
C24H30N4O5
Molecular Weight:
454.5188
IUPAC Name:
(2S)-2-[[2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C24H30N4O5/c1-16(2)13-19(28-24(33)26-18-11-7-4-8-12-18)22(30)25-15-21(29)27-20(23(31)32)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,25,30)(H,27,29)(H,31,32)(H2,26,28,33)/t19-,20-/m0/s1
InChI Key:
DTFDOEUHVPNIBC-PMACEKPBSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)Nc1ccccc1)C
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
454.222g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
454.527g/mol
Monoisotopic Mass:
454.222g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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