Glutamylamidoethyl Indole

CAT: 1330-478273-36-8Size: EachDry Ice: NoHazardous: No

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CAT#:1330-478273-36-8Size:Each

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CAS Number

478273-36-8

Chemical Information

(4S)-4-Amino-5-((2-(1H-indol-3-yl)ethyl)amino)-5-oxopentanoic acid

CAS Number	478273-36-8
PubChem CID	10401901
IUPAC Name	(4S)-4-amino-5-[2-(1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
Molecular Formula	C15H19N3O3
Molecular Weight	289.33
XLogP	-1.5
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	375

SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C15H19N3O3/c16-12(5-6-14(19)20)15(21)17-8-7-10-9-18-13-4-2-1-3-11(10)13/h1-4,9,12,18H,5-8,16H2,(H,17,21)(H,19,20)/t12-/m0/s1

InChIKey

WAACXEZYKFZHHH-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 478273-36-8

CID: 10401901

Formula: C15H19N3O3

MW: 289.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.33
XLogP3	-1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	289.14264148
Monoisotopic Mass	289.14264148
Topological Polar Surface Area	108 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	375
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

Catalog	Name
169283-81-2	Glutamylamidoethyl Imidazole

Catalog	Name
T4799-01	Indole