(S)-2-사이클로펜틸일록시카보닐라미노-3,3-다이메틸-부산

(S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid

HCID 23595129CAS 572924-00-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIKey: VKOXJCPQUQBCAJ-SECBINFHSA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol
단동위원소 질량: 243.14705815

이름 및 식별자

우선 이름: (S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid
IUPAC: (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
현지명: (S)-2-사이클로펜틸일록시카보닐라미노-3,3-다이메틸-부산
영어명: (S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

572924-00-6(S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid(S)-2-(((Cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acidL-Valine, N-[(cyclopentyloxy)carbonyl]-3-methyl-SCHEMBL1536518DTXSID10635120VKOXJCPQUQBCAJ-SECBINFHSA-NAKOS025402448AC-9258N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valine(S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid

이름 더 보기

(S)-2-사이클로펜틸일록시카보닐라미노-3,3-다이메틸-부산N-[(Cyclopentyloxy)carbonyl]-3-methylvalineN-[(cyclopentyloxy)carbonyl]-L-tert-leucineL-Valine, N-[(cyclopentyloxy)carbonyl]-3-Methyl

(S)-2-(((Cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoicacid(2S)-2-{[(CYCLOPENTYLOXY)CARBONYL]AMINO}-3,3-DIMETHYLBUTANOIC ACID

데이터베이스 식별자

CAS: 572924-00-6
PubChem CID: 23595129
DTXSID: DTXSID10635120
EC Number: 675-963-9

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 289

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.