(2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid

HCID 978332

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Basic information

CAS: 86123-10-6
Standard SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIKey: SJVFAHZPLIXNDH-JOCHJYFZSA-N
Molecular formula: C24H21NO4
Average molar mass: 387.4 g/mol

Overview

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Names & identifiers

Preferred name: (2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid
IUPAC: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid

Names & synonyms

(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-phenylpropanoic acid(2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acidRefChem:396898630-426-8Fmoc-D-Phe-OH86123-10-6Fmoc-D-phenylalanineD-Fmoc-PhenylalanineN-Fmoc-D-phenylalanine(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acidMFCD00062955D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Show more names

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acidCHEMBL348015N-(9-FLUORENYLMETHOXYCARBONYL)-D-PHENYLALANINEDS-1654M03371(((9H-Fluoren-9-yl)methoxy)carbonyl)-D-phenylalanineZ1723944681N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine

Database identifiers

CAS: 86123-10-6
PubChem CID: 978332
ChEMBL: CHEMBL348015
UNII: S98AJ2BS3A
EC Number: 630-426-8
Nikkaji: J860.962D

Properties

Computed structural propertiesFilling in

XLogP: 4.6
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 551

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.