기본 정보
- CAS
134623-15-7- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1- InChIKey
VFXBGUYEVNSPLY-LETNQRCJSA-N- 분자식
- C43H59N7O7
- 평균 분자량
- 786 g/mol
- 단동위원소 질량
- 785.44759725
개요
RN & structure given in first source
이름 및 식별자
- 우선 이름
- N-(N-(N-(N-(1-naphthoxyacetyl)-histidyl)-5-amino-3,4-dihydroxy-2-isobutyl-7-methyloctanoyl)isoleucyl)-2-pyridylmethylamine
- IUPAC
- (2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-(2-methylpropyl)octanamide
- 영어명
- N-(N-(N-(N-(1-naphthoxyacetyl)-histidyl)-5-amino-3,4-dihydroxy-2-isobutyl-7-methyloctanoyl)isoleucyl)-2-pyridylmethylamine
- 분자식
- C43H59N7O7
- 분자량
- 785.97
이름 및 동의어
NHDIP134623-15-7N-(N-(N-(N-(1-Naphthoxyacetyl)-histidyl)-5-amino-3,4-dihydroxy-2-isobutyl-7-methyloctanoyl)isoleucyl)-2-pyridylmethylamineRefChem:162401CHEMBL300475(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-(2-methylpropyl)octanamideNOA-His-(R,R)-LLd-Ile-AmpDTXSID00928694BDBM50000754N-(N-(N-(N-(1-naphthoxyacetyl)-histidyl)-5-amino-3,4-dihydroxy-2-isobutyl-7-methyloctanoyl)isoleucyl(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide
이름 더 보기
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 208 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,260
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