CAS 13122-91-3 | L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl- | CAS Number 13122-91-3

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13122-91-3 | L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-

CAS No: 13122-91-3 Catalog No: AG000VR1 MDL No:MFCD00191139

Product Description

Catalog Number:

AG000VR1

Chemical Name:

L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-

CAS Number:

13122-91-3

Molecular Formula:

C26H26N2O5

Molecular Weight:

446.4950

MDL Number:

MFCD00191139

IUPAC Name:

(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

InChI:

InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1

InChI Key:

JNRHNGGTJOBXHL-GOTSBHOMSA-N

SMILES:

O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)OCc1ccccc1

EC Number:

236-051-2

UNII:

Q3HUG35MZD

Properties

Complexity:

622

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

446.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

446.503g/mol

Monoisotopic Mass:

446.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501