기본 정보
- CAS
83563-93-3- 표준 SMILES
C/C=C/C[C@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C- InChIKey
UYPPEWHLQQUDPM-GFDDNBSLSA-N- 분자식
- C62H111N11O12
- 평균 분자량
- 1,202.6 g/mol
개요
Cyclosporin I has been reported in Trichoderma polysporum with data available.
이름 및 식별자
- 우선 이름
- (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2S)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- IUPAC
- (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2S)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- 영어명
- Cyclo[L-Ala-D-Ala-N-methyl-L-Leu-L-Leu-N-methyl-L-Val-N-methyl-α-[(1R,2S,4E)-1-hydroxy-2-methyl-4-hexenyl]-L-Gly-L-Val-N-methyl-Gly-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-]
- 분자식
- C62H111N11O12
- 분자량
- 1202.61124
이름 및 동의어
Cyclosporin ICyclo[L-Ala-D-Ala-N-methyl-L-Leu-L-Leu-N-methyl-L-Val-N-methyl-α-[(1R,2S,4E)-1-hydroxy-2-methyl-4-hexenyl]-L-Gly-L-Val-N-methyl-Gly-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-]
데이터베이스 식별자
- CAS
83563-93-3- Nikkaji
- J92.065G
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 288 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,320
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