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CAS Number

2632341-91-2

Molecular Formula

C37H37N5O7

Molecular Weight

663.72

Chemical Information

(S)-2-[2-[2-(Fmoc-amino)acetamido]acetamido]-N-[2-[[4-(hydroxymethyl)phenyl]amino]-2-oxoethyl]-3-phenylpropanamide

CAS Number	2632341-91-2
PubChem CID	168459167
IUPAC Name	9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
Molecular Formula	C37H37N5O7
Molecular Weight	663.7
XLogP	3.1
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	15
Heavy Atom Count	49
Formal Charge	0
Complexity	1100

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NC2=CC=C(C=C2)CO)NC(=O)CNC(=O)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C37H37N5O7/c43-22-25-14-16-26(17-15-25)41-34(45)21-39-36(47)32(18-24-8-2-1-3-9-24)42-35(46)20-38-33(44)19-40-37(48)49-23-31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-17,31-32,43H,18-23H2,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t32-/m0/s1

InChIKey

ZDDHYVRJKDYCEJ-YTTGMZPUSA-N

Chemical Structure

2D Structure

CAS: 2632341-91-2

CID: 168459167

Formula: C37H37N5O7

MW: 663.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	663.7
XLogP3	3.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	15
Exact Mass	663.26929854
Monoisotopic Mass	663.26929854
Topological Polar Surface Area	175 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1100
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

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Alternative Products

Catalog	Name
abx182493-01	Index Name Not Yet Assigned
44241417	#NAME?
HY-18729	L-NAME
A7088-100	L-NAME hydrochloride
ALX-105-003-G005	L-NAME . hydrochloride
HY-129876-01	D-NAME (hydrochloride)
ProductCode	Antibody product name

INDEX NAME NOT YET ASSIGNED

Chemical Information

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