기본 정보
- 표준 SMILES
COCCCOc1cc(C[C@@H](C[C@H]2[C@H](C[C@H](C(=O)NC(C)(C)C(N)=O)C(C)C)OC(C)(C)N2C(=O)OC(C)(C)C)C(C)C)ccc1OC- InChIKey
IVVHTBHJHHYTIV-NUISNXNRSA-N- 분자식
- C37H63N3O8
- 평균 분자량
- 677.9 g/mol
이름 및 식별자
- 우선 이름
- 3-Tert-butoxycarbonyl-5(S)-{2-[N-(1-carbamoyl-1-methyl-ethyl)-carbamoyl]-2(S)-isopropyl-ethyl}-4(S)-{2(S)-isopropyl-3-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-propyl}-2,2-dimethyl-1,3-oxazolidine
- IUPAC
- tert-butyl (4S,5S)-5-[(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
이름 및 동의어
SCHEMBL6044520IVVHTBHJHHYTIV-NUISNXNRSA-N3-tert-butoxycarbonyl-5(S)-{2-[N-(1-carbamoyl-1-methyl-ethyl)-carbamoyl]-2(S)-isopropyl-ethyl}-4(S)-{2(S)-isopropyl-3-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-propyl}-2,2-di-methyl-1,3-oxazolidine3-Tert-butoxycarbonyl-5(S)-{2-[N-(1-carbamoyl-1-methyl-ethyl)-carbamoyl]-2(S)-isopropyl-ethyl}-4(S)-{2(S)-isopropyl-3-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-propyl}-2,2-dimethyl-1,3-oxazolidine3-Tert-butoxycarbonyl-5(S)-{2-[N-(1-carbamyl-1-methyl-ethyl)-carbamoyl]-2(S)-isopropyl-ethyl}-4(S)-{2(S)-isopropyl-3-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-propyl}-2,2-dimethyl-1,3-oxazolidine
데이터베이스 식별자
- PubChem CID
- 22865784
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
9건
화합물 노트
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