기본 정보
- CAS
150767-06-9- 표준 SMILES
CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
QJNMCBADOQXQMJ-SVBPBHIXSA-N- 분자식
- C30H37N3O5
- 평균 분자량
- 519.6 g/mol
- 단동위원소 질량
- 519.27332128
이름 및 식별자
- 우선 이름
- 2-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6-diphenyl-2-azahexane
- IUPAC
- tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamate
- 영어명
- 2-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6 -diphenyl-2-azahexane
- 분자식
- C30H37N3O5
- 분자량
- 519.63
이름 및 동의어
150767-06-92-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6-diphenyl-2-azahexaneQJNMCBADOQXQMJ-SVBPBHIXSA-Ntert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamateSCHEMBL6443922DTXSID301646092-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6 -diphenyl-2-azahexane1-[2(S)-Hydroxy-3(S)-(benzyloxycarbonylamino)-4-phenyl-butyl]-1-[phenylmethyl]-2-[tert-butoxycarbonyl]-hydrazinebenzyl N-[(1S,2S)-1-benzyl-3-[benzyl-(tert-butoxycarbonylamino)amino]-2-hydroxy-propyl]carbamatetert-Butyl 2-benzyl-2-[(2S,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]hydrazine-1-carboxylateHydrazinecarboxylic acid, 2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(phenylmethoxy)carbonyl]amino]butyl]-2-(phenylmethyl)-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
150767-06-9- PubChem CID
- 464759
- DTXSID
DTXSID30164609
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 694
물리화학적 성질
- 녹는점
- 142 · 142-143 °C
- 밀도
- 1.184 · 1.184±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 10.353 · 10.353±0.50(predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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