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16856-28-3 | L-Tryptophan, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS No: 16856-28-3 Catalog No: AG001Y5P MDL No:MFCD00191140
Product Description
Catalog Number:
AG001Y5P
Chemical Name:
L-Tryptophan, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS Number:
16856-28-3
Molecular Formula:
C28H27N3O5
Molecular Weight:
485.5311
MDL Number:
MFCD00191140
IUPAC Name:
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C28H27N3O5/c32-26(30-25(27(33)34)16-21-17-29-23-14-8-7-13-22(21)23)24(15-19-9-3-1-4-10-19)31-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,29H,15-16,18H2,(H,30,32)(H,31,35)(H,33,34)/t24-,25-/m0/s1
InChI Key:
XPJAHPOAFDDPPF-DQEYMECFSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)OCc1ccccc1
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
485.195g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
485.54g/mol
Monoisotopic Mass:
485.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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