기본 정보
- CAS
186380-62-1- 표준 SMILES
NCCCCCCNCC(=O)N(CCCN=C(N)N)CC(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(N)=O)Cc1ccccc1- InChIKey
PHIRWRJXMDCHJF-GBYUNDSOSA-N- 분자식
- C58H107N25O9
- 평균 분자량
- 1,298.6 g/mol
- 단동위원소 질량
- 1,297.86836009
이름 및 식별자
- 우선 이름
- (2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzyl-amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino
- IUPAC
- (2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzylamino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
이름 및 동의어
(2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzyl-amino]acetyl]-[3-(diaminomethylideneamino)propyl]aminoSCHEMBL15987250SCHEMBL29624051GLXC-07933(2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-benzyl-amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carboxamideN-(6-Aminohexyl)glycyl-N-{3-[(diaminomethylidene)amino]propyl}glycyl-N-{3-[(diaminomethylidene)amino]propyl}glycyl-N-benzylglycyl-N-{3-[(diaminomethylidene)amino]propyl}glycyl-D-lysyl-D-lysyl-N~5~-(diaminomethylidene)-D-ornithyl-L-prolinamide
데이터베이스 식별자
- CAS
186380-62-1- PubChem CID
- 462369
물성
구조 계산 물성
- XLogP
- -7.1
- 극성 표면적
- 580 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 49
- 무거운 원자 수
- 92
- 형식 전하
- 0
- 복잡도
- 2,380
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