1-9H-fluoren-9-ylmethyl (2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino}butyl(3-iodobenzyl)carbamate

HCID 58759852

기본 정보

표준 SMILES
O=C(CCCC(=O)N1CCCCC1)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN(Cc1cccc(I)c1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
WUBOIYVGMJGKLC-ZESVVUHVSA-N
분자식
C42H44F2IN3O5
평균 분자량
835.7 g/mol

이름 및 식별자

우선 이름
1-9H-fluoren-9-ylmethyl (2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino}butyl(3-iodobenzyl)carbamate
IUPAC
9H-fluoren-9-ylmethyl N-[(2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-[(5-oxo-5-piperidin-1-ylpentanoyl)amino]butyl]-N-[(3-iodophenyl)methyl]carbamate

이름 및 동의어

1-9H-fluoren-9-ylmethyl(2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino)butyl(3-iodobenzyl)carbamate1-9H-fluoren-9-ylmethyl(2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino}butyl(3-iodobenzyl)carbamateSCHEMBL4795529WUBOIYVGMJGKLC-ZESVVUHVSA-N1-9H-fluoren-9-ylmethyl (2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino}butyl(3-iodobenzyl)carbamate

데이터베이스 식별자

PubChem CID
58759852

물성

구조 계산 물성

XLogP
6.9
극성 표면적
99.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
15
무거운 원자 수
53

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