3-[3-(2-Amino-2-oxoethyl)-28-(12-chlorotetradecan-2-yl)-21-ethylidene-27-hydroxy-15,18-bis(1-hydroxyethyl)-6-(1-methoxyethyl)-4-methyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide
기본 정보
- 표준 SMILES
CC=C1N=C(O)C(C(C)C)N=C(O)C(O)C(C(C)CCCCCCCCCC(Cl)CC)N=C(O)C2CCCN2C(=O)C(CC(=N)O)N(C)C(=O)C(C(C)OC)N=C(O)CN=C(O)C(CCC(=N)O)N=C(O)C(C(C)O)N=C(O)C(C(C)O)N=C1O- InChIKey
LLZGZWBVBWCMRA-UHFFFAOYSA-N- 분자식
- C56H95ClN12O16
- 평균 분자량
- 1,227.9 g/mol
- 단동위원소 질량
- 1,226.66775264
개요
LLZGZWBVBWCMRA-UHFFFAOYSA-N has been reported in Anabaena and Romanoa with data available.
이름 및 식별자
- 우선 이름
- 3-[3-(2-Amino-2-oxoethyl)-28-(12-chlorotetradecan-2-yl)-21-ethylidene-27-hydroxy-15,18-bis(1-hydroxyethyl)-6-(1-methoxyethyl)-4-methyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide
- IUPAC
- 3-[3-(2-amino-2-oxoethyl)-28-(12-chlorotetradecan-2-yl)-21-ethylidene-27-hydroxy-15,18-bis(1-hydroxyethyl)-6-(1-methoxyethyl)-4-methyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 430 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,350
관련 반응
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