기본 정보
- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@@H](C)C(=O)NCc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)OCc1ccccc1)C2(C)C- InChIKey
PMGPPANXETWMDG-GZKITFSVSA-N- 분자식
- C64H72N4O11
- 평균 분자량
- 1,073.3 g/mol
이름 및 식별자
- 우선 이름
- benzyl 3,6-dimethoxy-9,9-dimethyl-5-[(N-(9H-fluoren-9-ylmethoxycarbonyl)-L-iso-leucyl-O-tert-butyl-L-tyrosyl-L-alanyl)aminomethyl]xanthene-4-acetate
- IUPAC
- benzyl 2-[5-[[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]propanoyl]amino]methyl]-3,6-dimethoxy-9,9-dimethylxanthen-4-yl]acetate
이름 및 동의어
SCHEMBL8632303PMGPPANXETWMDG-GZKITFSVSA-Nbenzyl 3,6-dimethoxy-9,9-dimethyl-5-[(N-(9H-fluoren-9-ylmethoxycarbonyl)-L-iso-leucyl-O-tert-butyl-L-tyrosyl-L-alanyl)aminomethyl]xanthene-4-acetatebenzyl 3,6-dimethoxy-9,9-dimethyl-5-[(N-(9H-fluoren-9-ylmethoxycarbonyl)-L-isoleucyl-O-tert-butyl-L-tyrosyl-L-alanyl)aminomethyl]xanthene-4-acetate
데이터베이스 식별자
- PubChem CID
- 18665271
물성
구조 계산 물성
- XLogP
- 11.3
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 79
- 형식 전하
- 0
- 복잡도
- 1,980
관련 반응
3건
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