Nostocyclopeptide A1
기본 정보
- 표준 SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)N=C[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@H](CO)NC1=O- InChIKey
TZHROWIOAVYSMP-NMMVZENQSA-N- 분자식
- C37H56N8O9
- 평균 분자량
- 756.9 g/mol
- 단동위원소 질량
- 756.41702539
개요
Nostocyclopeptide A1 is a cyclic peptide.
이름 및 식별자
- 우선 이름
- Nostocyclopeptide A1
- IUPAC
- 3-[(3S,6S,9R,15S,18S,21S,23S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-18-(2-methylpropyl)-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
이름 및 동의어
Nostocyclopeptide A1DTXSID7013345743-((3S,6S,9R,15S,18S,21S,23S)-6-((2S)-butan-2-yl)-3-(hydroxymethyl)-15-((4-hydroxyphenyl)methyl)-23-methyl-18-(2-methylpropyl)-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo(19.3.0)tetracos-16-en-9-yl)propanamide3-[(3S,6S,9R,15S,18S,21S,23S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-18-(2-methylpropyl)-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamideRefChem:166760DTXCID501763993CHEBI:80053CHEMBL451336SCHEMBL17866796BDBM50478553Q271492043-[(3S,6S,12R,15S,18S,22S,23aS)-15-[(2S)-Butan-2-yl]-18-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-22-methyl-3-(2-methylpropyl)-1,7,10,13,16,19-hexaoxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17,18,19,21,22,23,23a-icosahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosin-12-yl]propanamide
데이터베이스 식별자
- PubChem CID
- 10652683
- DTXSID
DTXSID701334574- ChEMBL
CHEMBL451336- ChEBI
CHEBI:80053- Nikkaji
- J1.488.156E
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 262 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,370
관련 반응
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