2-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid

HCID 269698CAS 1178567-92-4

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O
InChIKey: ZYJPUMXJBDHSIF-UHFFFAOYSA-N
분자식: C14H19NO4
평균 분자량: 265.3 g/mol
단동위원소 질량: 265.13140809

이름 및 식별자

우선 이름: 2-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
영어명: Boc-DL-phenylalanine
분자식: C39H55N5O6
분자량: 689.9

이름 및 동의어

4530-18-12-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-PHENYLPROPANOIC ACID2-(((tert-butoxy)carbonyl)amino)-3-phenylpropanoic acidRefChem:447141834-373-3Boc-Dl-Phe-OhBOC-DL-PhenylalanineN-Boc-DL-Phenylalanine1178567-92-42-(tert-butoxycarbonylamino)-3-phenylpropanoic acidMFCD005589692-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

이름 더 보기

2-((tert-Butoxycarbonyl)amino)-3-phenylpropanoic acidN-(tert-Butoxycarbonyl)-L-phenylalanine-beta-13cN-(TERT-BUTOXYCARBONYL)-L-PHENYLALANINE-CARBOXY-13C84771-22-2n-t-boc-phenylalanineCBMicro_013775CBKinase1_000280CBKinase1_012680

데이터베이스 식별자

CAS: 1178567-92-4、13734-34-4、4530-18-1
PubChem CID: 269698
DTXSID: DTXSID90296718
ChEMBL: CHEMBL1721171
EC Number: 834-373-3
Nikkaji: J1.110.584J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 316

실험 및 물리화학적 성질

Solubility35.3 [ug/mL] (The mean of the results at pH 7.4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.