tert-Butoxycarbonyl-L-isoleucine

HCID 2724762CAS 13139-16-7

기본 정보

표준 SMILES: CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: QJCNLJWUIOIMMF-YUMQZZPRSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.14705815

이름 및 식별자

우선 이름: tert-Butoxycarbonyl-L-isoleucine
IUPAC: (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

이름 및 동의어

N-(tert-Butoxycarbonyl)-L-isoleucinetert-Butoxycarbonyl-L-isoleucineDTXSID40884508RefChem:891501DTXCID401775361236-074-8Boc-L-isoleucine13139-16-7Boc-Ile-OHBoc-L-Ile-OH116194-21-9Boc-DL-Ile-OH

이름 더 보기

N-Boc-L-isoleucineBoc-DL-isoleucineL-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acidMFCD00038324tert-Butoxycarbonylisoleucine(TERT-BUTOXYCARBONYL)-L-ISOLEUCINE(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

데이터베이스 식별자

CAS: 13139-16-7
PubChem CID: 2724762
DTXSID: DTXSID40884508
ChEMBL: CHEMBL1229089
EC Number: 236-074-8
Nikkaji: J208.112A

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 257

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.