기본 정보
- CAS
159105-12-1- 표준 SMILES
CCC(C)[C@H]1C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H](C)C(=O)N2CCCCC2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](C(C)CC)C(=O)N1C- InChIKey
VDCLCAXYTCLVQY-YGESTRDJSA-N- 분자식
- C57H92N10O13
- 평균 분자량
- 1,125.4 g/mol
- 단동위원소 질량
- 1,124.68453303
이름 및 식별자
- 우선 이름
- Cyclo(L-alanyl-(2S)-2-piperidinecarbonyl-N-methyl-L-valyl-L-valyl-N-methyl-L-alpha-aspartyl-N-methyl-L-isoleucyl-N-methyl-L-isoleucylglycyl-N-methyl-L-valyl-O-methyl-L-tyrosyl)
- IUPAC
- 2-[(3R,6S,9S,15S,18S,21S,24S,27S)-15,18-di(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)-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid
이름 및 동의어
159105-12-1Cyclo(L-alanyl-(2S)-2-piperidinecarbonyl-N-methyl-L-valyl-L-valyl-N-methyl-L-alpha-aspartyl-N-methyl-L-isoleucyl-N-methyl-L-isoleucylglycyl-N-methyl-L-valyl-O-methyl-L-tyrosyl)2-[(3R,6S,9S,15S,18S,21S,24S,27S)-9,24,27-triisopropyl-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-15,18-disec-butyl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acidCyclo[L-alanyl-(2S)-2-piperidinecarbonyl-N-methyl-L-valyl-L-valyl-N-methyl-L-.alpha.-aspartyl-N-methyl-L-isoleucyl-N-methyl-L-isoleucylglycyl-N-methyl-L-valyl-O-methyl-L-tyrosyl]
데이터베이스 식별자
- CAS
159105-12-1- PubChem CID
- 461395
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 285 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 80
- 형식 전하
- 0
- 복잡도
- 2,200
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