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

HCID 86756375
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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
KRWHVAAIEZGZKG-BYQFEBCPSA-N
분자식
C35H43F4N3O8
평균 분자량
709.7 g/mol
단동위원소 질량
709.29862799

이름 및 식별자

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

이름 및 동의어

KRWHVAAIEZGZKG-BYQFEBCPSA-NN-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-cabonyl]valinyl}-3-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl esterN-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-cabonyl]valinyl}-3-amino4-hydroxy-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl esterN-{[1-(tert-butyl)oxycarbonylmethyl-indole-2-carbonyl]valinyl}-3-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl ester

데이터베이스 식별자

PubChem CID
86756375

물성

구조 계산 물성

XLogP
5.7
극성 표면적
145 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
12
회전 가능 결합 수
17
무거운 원자 수
50

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