(2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acid

HCID 6993436CAS 13650-49-2

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)O
InChIKey: GLZZMUULAVZVTA-ZETCQYMHSA-N
분자식: C10H20N2O4
평균 분자량: 232.28 g/mol
단동위원소 질량: 232.14230712

이름 및 식별자

우선 이름: (2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acid
IUPAC: (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

이름 및 동의어

(2S)-2-amino-5-{[(tert-butoxy)carbonyl]amino}pentanoic acid(2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acidRefChem:398340841-127-913650-49-2H-Orn(Boc)-OHBoc-L-Orn-OH(S)-2-Amino-5-((tert-butoxycarbonyl)amino)pentanoic acidNdelta-Boc-L-ornithineL-Ornithine, N5-[(1,1-dimethylethoxy)carbonyl]-MFCD00037219Ndelta -Boc-ornithine

이름 더 보기

(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidN-delta-Boc-L-OrnithineDTXSID90426356(S)-2-Amino-5-((tert-butoxycarbonyl)-amino)pentanoic acidN-alpha-t-BOC-L-ORNITHINENdelta-Boc-ornithineN5-(tert-butoxycarbonyl)-L-ornithineH-Orn(Boc)

데이터베이스 식별자

CAS: 13650-49-2
PubChem CID: 6993436
DTXSID: DTXSID90426356
ChEMBL: CHEMBL1222173
EC Number: 841-127-9
Nikkaji: J364.709I

물성

구조 계산 물성

XLogP: -2.3
극성 표면적: 102 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 248

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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.