기본 정보
- CAS
129816-92-8- 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)N(CC)CC)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N1C- InChIKey
DQFWBGMQIGSEOT-XUHIFJSHSA-N- 분자식
- C61H100N10O13
- 평균 분자량
- 1,181.5 g/mol
- 단동위원소 질량
- 1,180.74713328
이름 및 식별자
- 우선 이름
- L-Tyrosine, N-(N-(N-(N-(N-(N,N-diethyl-N2-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N2-methyl-L-asparaginyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (R-(R*,S*))-
- IUPAC
- 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]-N,N-diethylacetamide
이름 및 동의어
129816-92-8L-Tyrosine, N-(N-(N-(N-(N-(N,N-diethyl-N2-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N2-methyl-L-asparaginyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (R-(R*,S*))-L-Tyrosine, N-[N-[N-[N-[N-[N,N-diethyl-N2-[N-[N-[[1-(2-hydroxy-1-oxopropyl)-2-piperidinyl]carbonyl]-N-methyl-L-valyl]-L-valyl]-N2-methyl-L-asparaginyl]-N-methyl-L-isoleucyl]-N-methyl-L-isoleucyl]glycyl]-N-methyl-L-valyl]-O-methyl-, .delta.1-lactone, [R-(R*,S*)]-N,N-diethyl-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]acetamide
데이터베이스 식별자
- CAS
129816-92-8- PubChem CID
- 461374
- Nikkaji
- J602.929I
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 265 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 84
- 형식 전하
- 0
- 복잡도
- 2,290
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