Paenilarvin C
기본 정보
- 표준 SMILES
CC(C)CCCCCCCCC[C@H]1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1- InChIKey
BAZZDDBHNIGLGB-AWNDOMLDSA-N- 분자식
- C50H77N13O14
- 평균 분자량
- 1,084.2 g/mol
- 단동위원소 질량
- 1,083.57129414
개요
Paenilarvin C is a cyclic peptide.
이름 및 식별자
- 우선 이름
- Paenilarvin C
- IUPAC
- 3-[(3S,6R,9R,12S,16S,19S,22R,25R)-6,12,19,22-tetrakis(2-amino-2-oxoethyl)-9-[(4-hydroxyphenyl)methyl]-16-(10-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
이름 및 동의어
Paenilarvin C3-[(3S,6R,9R,12S,16S,19S,22R,25R)-6,12,19,22-tetrakis(2-amino-2-oxoethyl)-9-[(4-hydroxyphenyl)methyl]-16-(10-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide3-((3R,6S,9S,13S,16R,19R,22S,27AR)-1,4,7,11,14,17,20-heptahydroxy-3,6,13,19-tetrakis((C-hydroxycarbonimidoyl)methyl)-16-((4-hydroxyphenyl)methyl)-9-(10-methylundecyl)-23-oxo-3H,6H,9H,10H,13H,16H,19H,22H,23H,25H,26H,27H,27ah-pyrrolo(2,1-i)1,4,7,10,13,16,19,22-octaazacyclopentacosan-22-yl)propanimidate3-((3S,6R,9R,12S,16S,19S,22R,25R)-6,12,19,22-tetrakis(2-amino-2-oxoethyl)-9-((4-hydroxyphenyl)methyl)-16-(10-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo(23.3.0)octacosan-3-yl)propanamide3-[(3R,6S,9S,13S,16R,19R,22S,27AR)-1,4,7,11,14,17,20-heptahydroxy-3,6,13,19-tetrakis[(C-hydroxycarbonimidoyl)methyl]-16-[(4-hydroxyphenyl)methyl]-9-(10-methylundecyl)-23-oxo-3H,6H,9H,10H,13H,16H,19H,22H,23H,25H,26H,27H,27ah-pyrrolo[2,1-i]1,4,7,10,13,16,19,22-octaazacyclopentacosan-22-yl]propanimidateRefChem:169568CHEBI:219564
데이터베이스 식별자
- ChEBI
CHEBI:219564
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 460 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 77
- 형식 전하
- 0
- 복잡도
- 2,120
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