Ubo-Qic

L-Threonine,(3R)-N-acetyl-3-hydroxy-L-leucyl-(aR)-a-hydroxybenzenepropanoyl-2,3-didehydro-N-methylalanyl-L-alanyl-N-methyl-L-alanyl-(3R)-3-[[(2S,3R)-3-hydroxy-4-methyl-1-oxo-2-[(1-oxopropyl)amino]pent · L-Threonine, (3R)-N-acetyl-3-hydroxy-L-leucyl-(αR)-α-hydroxybenzenepropanoyl-2,3-didehydro-N-methylalanyl-L-alanyl-N-methyl-L-alanyl-(3R)-3-[[(2S,3R)-3-hydroxy-4-methyl-1-oxo-2-[(1-oxopropyl)amino]pentyl]oxy]-L-leucyl-N,O-dimethyl-, (7→1)-lactone · L-Threonine,(3R)-N-acetyl-3-hydroxy-L-leucyl-(aR)-a-hydroxybenzenepropanoyl-2,3-didehydro-N-methylalanyl-L-alanyl-N-methyl-L-alanyl-(3R)-3-[[(2S,3R)-3-hydroxy-4-methyl-1-oxo-2-[(1-oxopropyl)amino]pentyl]oxy]-L-leucyl-N,O-dimethyl-,(7(R)1)-lactone (9CI)

https://huagongshe.com/ko/chemical/14101198

식별자 및 물리적 특성

CAS No.	107530-18-7
분자식	C49H75N7O15
평균 분자량	1,002.2 g/mol
단동위원소 질량	1,001.53211471 g/mol
SMILES	C=C1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@H](OC(=O)[C@@H](NC(=O)CC)[C@H](O)C(C)C)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)OC)C(=O)O[C@H](C(C)C)[C@H](NC(C)=O)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C
InChIKey	WSDKZQASFYXEJK-PGKWSINNSA-N
PubChem CID	14101198
ChEMBL	CHEMBL4171381
ChEBI	CHEBI:178012

화학 및 물리적 성질

XLogP	3.5
극성 표면적	286
수소 결합 공여자 수	5
수소 결합 수용자 수	15
회전 가능 결합 수	15
무거운 원자 수	71
형식 전하	0
복잡도	1,940
저장 조건	-20°C
용해도	클로로포름: 용해성
물리적 상태	Solid
색상	Light yellow to brown

안전 및 규제

신호 어	Danger
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225