Pheganomycin DR
기본 정보
- CAS
69280-91-7- 표준 SMILES
CC(C)(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N=C(N)N)c1cc(O)c(CO)c(O)c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O- InChIKey
VHDCHQAJYCLACL-CXKYVJKLSA-N- 분자식
- C36H59N13O13
- 평균 분자량
- 881.9 g/mol
- 단동위원소 질량
- 881.43552899
이름 및 식별자
- 우선 이름
- Pheganomycin DR
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl]amino]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
- 영어명
- (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-3-carbamoyl-2-[[(2S)- 2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]a cetyl]amino]propanoyl]amino]-3,3-dimethyl-butanoyl]amino]hexanoyl]amin o]-3-carboxy-propanoyl]amino]-5-(diaminomethylideneamino)pentanoic aci d
- 분자식
- C36H59N13O13
- 분자량
- 881.93296
이름 및 동의어
Pheganomycin DR69280-91-7DTXSID10219343Arginine, N(sup 2)-(N-(N(sup 2)-(N-(N(sup 2)-(N-(aminoiminomethyl)-2-(3,5-dihydroxy-4-(hydroxymethyl)phenyl)glycyl)asparaginyl)-3-methylvalyl)lysyl)-alpha-aspartyl)-RefChem:368518DTXCID30141834SCHEMBL29885469N~2~-{(2S)-2-[(Diaminomethylidene)amino]-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl}-L-asparaginyl-3-methyl-L-valyl-L-lysyl-L-alpha-aspartyl-N~5~-(diaminomethylidene)-L-ornithine(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl]amino]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-3-carbamoyl-2-[[(2S)- 2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]a cetyl]amino]propanoyl]amino]-3,3-dimethyl-butanoyl]amino]hexanoyl]amin o]-3-carboxy-propanoyl]amino]-5-(diaminomethylideneamino)pentanoic aci d
물성
구조 계산 물성
- XLogP
- -6.9
- 극성 표면적
- 479 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,620
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