N-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-cabonyl]valinyl}-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic Acid, tert-butyl Ester

HCID 86756376
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기본 정보

표준 SMILES
CC(C)[C@H](NC(=O)c1cc2ccccc2n1CC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F
InChIKey
WMIKJADMDQBSTD-YBJSGSKQSA-N
분자식
C35H41F4N3O8
평균 분자량
707.7 g/mol

이름 및 식별자

우선 이름
N-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-cabonyl]valinyl}-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic Acid, tert-butyl Ester
IUPAC
tert-butyl 3-[[(2S)-3-methyl-2-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-2-carbonyl]amino]butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate

이름 및 동의어

SCHEMBL7775696WMIKJADMDQBSTD-YBJSGSKQSA-NN-{ [I -(tert-butyl)oxycarbonylmethyl-indole-2-cabonyl]valinyl}-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl esterN-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-cabonyl]valinyl}-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic Acid, tert-butyl EsterN-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-carbonyl]valinyl}-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid tert-butyl esterN-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-carbonyl]valinyl}-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl ester

데이터베이스 식별자

PubChem CID
86756376

물성

구조 계산 물성

XLogP
6
극성 표면적
142 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
17
무거운 원자 수
50

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