기본 정보
- 표준 SMILES
C/C=C1/N=C(O)[C@H](CO)N=C(O)C[C@@H](CCCCC)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](C(C)CC)N=C(O)[C@H](C(C)CC)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C(O)[C@H](CCO)N=C(O)[C@@H]2C[C@@H](O)CN2C1=O- InChIKey
UCGPFEODLDUNCV-WYAKQIMPSA-N- 분자식
- C59H95N11O15
- 평균 분자량
- 1,198.4 g/mol
- 단동위원소 질량
- 1,197.70091134
개요
Lobocyclamide A is a peptide.
이름 및 식별자
- 우선 이름
- Lobocyclamide A
- IUPAC
- (3E,6S,10R,16S,19S,22S,25R,28R,31S,34S,36R)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-[(4-hydroxyphenyl)methyl]-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
이름 및 동의어
Lobocyclamide ADTXSID001334604(3E,6S,10R,16S,19S,22S,25R,28R,31S,34S,36R)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-((4-hydroxyphenyl)methyl)-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo(32.3.0)heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone(3E,6S,10R,16S,19S,22S,25R,28R,31S,34S,36R)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-[(4-hydroxyphenyl)methyl]-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undeconeRefChem:924873DTXCID901764024(3E,6R,10R,16R,19S,22R,28R,34S,36R)-22-((2R)-butan-2-yl)-19-((2S)-butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-((4-hydroxyphenyl)methyl)-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo(32.3.0)heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone(3S,6R,9R,12S,15S,18S,24R,28S,35R,36aS,E)-15-((R)-sec-butyl)-12-(sec-butyl)-31-ethylidene-35-hydroxy-6-(4-hydroxybenzyl)-3-(2-hydroxyethyl)-28-(hydroxymethyl)-9,18-diisobutyl-24-pentyltetracosahydropyrrolo(1,2-g)(1,4,7,10,13,16,19,22,25,28,31)undecaazacyclotetratriacontin-1,4,7,10,13,16,19,22,26,29,32(23H)-undecaone
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 392 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,290
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