기본 정보
- CAS
129893-84-1- 표준 SMILES
CC[C@H](C)[C@H]1C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C)C(=O)N2CCCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N1C- InChIKey
UGWMRFXIOXUDPM-OUABENRGSA-N- 분자식
- C61H99N9O14
- 평균 분자량
- 1,182.5 g/mol
- 단동위원소 질량
- 1,181.73114887
이름 및 식별자
- 우선 이름
- tert-butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-9,24,27-triisopropyl-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-15,18-bis[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23,26,29-decaoxo-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate
- IUPAC
- tert-butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate
- 영어명
- SDZ 280 446
- 분자식
- C61H99N9O14
- 분자량
- 1182.49
이름 및 동의어
Cyclo[N-methyl-L-.alpha.-aspartyl-N-methyl-L-isoleucyl-N-methyl-L-isoleucylglycyl-N-methyl-L-valyl-O-methyl-L-tyrosyl-(2S)-2-hydroxypropanoyl-(2S)-2-piperidinecarbonyl-N-methyl-L-valyl-L-valyl], 1,1-dimethylethyl estertert-butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-9,24,27-triisopropyl-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-15,18-bis[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23,26,29-decaoxo-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate446Sdz 280SDZ 280 446Cyclo[N-methyl-L-α-aspartyl-N-methyl-L-isoleucyl-N-methyl-L-isoleucylglycyl-N-methyl-L-valyl-O-methyl-L-tyrosyl-(2S)-2-hydroxypropanoyl-(2S)-2-piperidinecarbonyl-N-methyl-L-valyl-L-valyl], 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
129893-84-1- PubChem CID
- 461372
- Nikkaji
- J602.352E
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 271 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 84
- 형식 전하
- 0
- 복잡도
- 2,320
물리화학적 성질
- 녹는점
- 146 · 146-148 °C
- 끓는 점
- 1262 · 1262.0±65.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.73 · 12.73±0.70(Predicted)
화학 및 산업
공급사2 곳
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