Bz-L-Trp-OH

CAT: 0024-sc-285265Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285265Size:5 g

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CAS Number

4302-66-3

Chemical Information

N-Benzoyl-L-Tryptophan

CAS Number	4302-66-3
PubChem CID	706490
IUPAC Name	(2S)-2-benzamido-3-(1H-indol-3-yl)propanoic acid
Molecular Formula	C18H16N2O3
Molecular Weight	308.3
XLogP	2.2
Topological Polar Surface Area	82.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	434

SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H16N2O3/c21-17(12-6-2-1-3-7-12)20-16(18(22)23)10-13-11-19-15-9-5-4-8-14(13)15/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23)/t16-/m0/s1

InChIKey

WPBCXLCJWLNDPV-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 4302-66-3

CID: 706490

Formula: C18H16N2O3

MW: 308.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.3
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	308.11609238
Monoisotopic Mass	308.11609238
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	434
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes