(3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidinecarboxylic acid

HCID 86706346

기본 정보

표준 SMILES
O=CN(C[C@@H](CC1CCCC1)C(=O)N1[C@H](C(=O)O)CCN1C(=O)OCc1ccccc1)OCc1ccccc1
InChIKey
KXXDTOXXMQSBJJ-FTJBHMTQSA-N
분자식
C29H35N3O7
평균 분자량
537.6 g/mol

이름 및 식별자

우선 이름
(3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidinecarboxylic acid
IUPAC
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]-1-phenylmethoxycarbonylpyrazolidine-3-carboxylic acid

이름 및 동의어

SCHEMBL12486674KXXDTOXXMQSBJJ-FTJBHMTQSA-N(3S)-2-[(2R)-3-cyclopentyl-2({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidine carboxylic acid(3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidine carboxylic acid(3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidinecarboxylic acid

데이터베이스 식별자

PubChem CID
86706346

물성

구조 계산 물성

XLogP
4.6
극성 표면적
117 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
12
무거운 원자 수
39

관련 반응

19건

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