기본 정보
- CAS
161302-38-1- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
KKRYDPVDJYCEER-QEGGNFSNSA-N- 분자식
- C30H45N3O6
- 평균 분자량
- 543.7 g/mol
- 단동위원소 질량
- 543.33083616
이름 및 식별자
- 우선 이름
- Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
- IUPAC
- tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
이름 및 동의어
161302-38-1BMS-182193Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamateBMS-182193, BMS-182,19312-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3,9-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (3S,4R,8R,9S)-((S,R)-3-(((R,S)-3-(((1,1-Dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic acid, 1,1-dimethylethyl ester[(S,R)-3-[[(R,S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethylethyl esterAminodiol deriv. 9a0E8BDBM914tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamateCHEMBL47476
이름 더 보기
DTXSID50167112tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamateQ27451037Di-tert-butyl {azanediylbis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamatedi-tert-butyl {iminobis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamatetert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 663
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