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141056-54-4 | D-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS No: 141056-54-4 Catalog No: AG001FT6 MDL No:
Product Description
Catalog Number:
AG001FT6
Chemical Name:
D-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS Number:
141056-54-4
Molecular Formula:
C26H27N3O4
Molecular Weight:
445.5103
IUPAC Name:
benzyl N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C26H27N3O4/c27-24(30)22(16-19-10-4-1-5-11-19)28-25(31)23(17-20-12-6-2-7-13-20)29-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H2,27,30)(H,28,31)(H,29,32)/t22-,23+/m1/s1
InChI Key:
XWEGJTXMZBKDSX-PKTZIBPZSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@@H](C(=O)N)Cc1ccccc1)Cc1ccccc1)OCc1ccccc1
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
445.2g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
445.519g/mol
Monoisotopic Mass:
445.2g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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