(2S)-N-[(2S)-1-[[(2S)-1-[[(2R,5S,8S,11S,12S,15S,18S,21R)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2R)-2,3-dihydroxypropanoyl]amino]-5-(4-hydroxyphenyl)pentanamide
기본 정보
- 표준 SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc2ccc(O)cc2)NC(=O)[C@H](O)CO)C(C)C)[C@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@@H]([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC1=O- InChIKey
DDRDKAKGHUYAPS-LFQAHCTKSA-N- 분자식
- C56H82ClN9O17
- 평균 분자량
- 1,188.8 g/mol
- 단동위원소 질량
- 1,187.5517199
이름 및 식별자
- 우선 이름
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2R,5S,8S,11S,12S,15S,18S,21R)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2R)-2,3-dihydroxypropanoyl]amino]-5-(4-hydroxyphenyl)pentanamide
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2R,5S,8S,11S,12S,15S,18S,21R)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2R)-2,3-dihydroxypropanoyl]amino]-5-(4-hydroxyphenyl)pentanamide
이름 및 동의어
DTXSID601046976
데이터베이스 식별자
- PubChem CID
- 155802027
- DTXSID
DTXSID601046976
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 392 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 83
- 형식 전하
- 0
- 복잡도
- 2,260
관련 반응
0건
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