기본 정보
- CAS
97747-93-8- 표준 SMILES
CCOc1ccc(C[C@H](NC(=O)CC2(S)CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C=S)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)CN)cc1- InChIKey
CCLTWSBETPDRKT-OAKHNGAUSA-N- 분자식
- C53H76N14O12S2
- 평균 분자량
- 1,165.4 g/mol
- 단동위원소 질량
- 1,164.52085626
개요
argipressin antagonist; RN given refers to all (L)-isomer
이름 및 식별자
- 우선 이름
- argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-
- IUPAC
- (2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
- 현지명
- 아르기프레신,(1-메르캅토시클로헥산아세트산)(1)-O-에틸-Tyr(2)-
- 영어명
- argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-
- 분자식
- C53H76N14O12S2
- 분자량
- 1165.38714
이름 및 동의어
d(CH2)5Tyr(Et)AvpArgipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-97747-93-8DTXSID40243232Arginine vasopressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-tyr(2)-RefChem:113987DTXCID40165723CGP-293251 (1-mercaptocyclohexaneacetic acid)-2-(O-ethyl-Tyr)-argipressinargipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyltyrosine(2)-Cgp 29325(2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
이름 더 보기
아르기프레신,(1-메르캅토시클로헥산아세트산)(1)-O-에틸-Tyr(2)-arginine-vasopressin
1-(1-Mercaptocyclohexaneacetic acid)-2-(O-ethyl-tyr)-argipressinArgipressin, (1-mercaptocyclohexaneacetic acid)(1)-O-ethyltyrosine(2)-Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-ethyl-L-tyrosine)-8-L-arginine-O-Ethyl-N-[(1-sulfanylcyclohexyl)acetyl]-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-3-sulfanylidene-L-alanyl-L-prolyl-N-(aminoacetyl)-N~5~-(diaminomethylidene)-L-ornithinamide
물성
구조 계산 물성
- XLogP
- -1.6
- 극성 표면적
- 460 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 32
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 2,240
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