Ogipeptin C
기본 정보
- 표준 SMILES
CC=C1NC(=O)[C@@H](NC(=O)CCCCCCCCCCC)[C@H](O)CNC(=O)[C@H]([C@@H](O)CN)NC(=O)[C@H]([C@H](O)CN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O- InChIKey
ABTLHXNLCGOXGT-JJWZXHLFSA-N- 분자식
- C44H82N14O11
- 평균 분자량
- 983.2 g/mol
- 단동위원소 질량
- 982.62874944
개요
Ogipeptin C is a cyclic peptide.
이름 및 식별자
- 우선 이름
- Ogipeptin C
- IUPAC
- N-[(3S,6S,9S,12S,15S,21S,22R)-15-(2-aminoethyl)-6-[(1R)-2-amino-1-hydroxyethyl]-3-[(1S)-2-amino-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-18-ethylidene-22-hydroxy-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]dodecanamide
이름 및 동의어
Ogipeptin CN-[(3S,6S,9S,12S,15S,21S,22R)-15-(2-aminoethyl)-6-[(1R)-2-amino-1-hydroxyethyl]-3-[(1S)-2-amino-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-18-ethylidene-22-hydroxy-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]dodecanamideN-((3S,6S,9S,12S,15S,21S,22R)-15-(2-aminoethyl)-6-((1R)-2-amino-1-hydroxyethyl)-3-((1S)-2-amino-1-hydroxyethyl)-9-(3-(diaminomethylideneamino)propyl)-18-ethylidene-22-hydroxy-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl)dodecanamideN-((3S,6S,9S,12S,15S,21S,22R)-6-((1R)-2-Amino-1-hydroxyethyl)-3-((1S)-2-amino-1-hydroxyethyl)-15-(2-aminoethyl)-9-(3-carbamimidamidopropyl)-18-ethylidene-2,5,8,11,14,17,20,22-octahydroxy-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaen-21-yl)dodecanimidateN-[(3S,6S,9S,12S,15S,21S,22R)-6-[(1R)-2-Amino-1-hydroxyethyl]-3-[(1S)-2-amino-1-hydroxyethyl]-15-(2-aminoethyl)-9-(3-carbamimidamidopropyl)-18-ethylidene-2,5,8,11,14,17,20,22-octahydroxy-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaen-21-yl]dodecanimidateRefChem:167980CHEBI:225692
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 436 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,710
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