기본 정보
- 표준 SMILES
N=C(N)NCCC[C@@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)N=C(O)C(O)CCc1ccc(O)cc1- InChIKey
WKADCTRDFMBYPU-FDHYGZKMSA-N- 분자식
- C30H42N6O7
- 평균 분자량
- 598.7 g/mol
- 단동위원소 질량
- 598.31149768
개요
Dihydrospumigin N is a N-acyl-amino acid.
이름 및 식별자
- 우선 이름
- Dihydrospumigin N
- IUPAC
- (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide
이름 및 동의어
Dihydrospumigin N(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide(2S)-N-((2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl)-1-((2R)-2-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)amino)-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamide(2S)-N-((2S)-5-Carbamimidamido-1-hydroxypentan-2-yl)-1-((2R)-2-((1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene)amino)-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboximidate(2S)-N-[(2S)-5-Carbamimidamido-1-hydroxypentan-2-yl]-1-[(2R)-2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboximidateRefChem:133943(2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamideCHEMBL4176114CHEBI:221579DTXSID901186911BDBM50277986N-[2-Hydroxy-4-(4-hydroxyphenyl)butanoyl]-D-tyrosyl-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-prolinamide
데이터베이스 식별자
- DTXSID
DTXSID901186911- ChEMBL
CHEMBL4176114- ChEBI
CHEBI:221579
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 224 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 917
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