(2R)-2-[[(8S,9S,12R,15R,18R,21S,27R)-12-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
기본 정보
- 표준 SMILES
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](C(C)C)c2ccc3c4c([nH]c3c2)-n2cnc(c2)C[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C4)NC(=O)[C@@H](C(C)C)NC1=O- InChIKey
IZPPUIAWMHHUAO-SREJNTLPSA-N- 분자식
- C53H78N18O11
- 평균 분자량
- 1,143.3 g/mol
- 단동위원소 질량
- 1,142.60974532
개요
IZPPUIAWMHHUAO-SREJNTLPSA-N has been reported in Celosia argentea with data available.
이름 및 식별자
- 우선 이름
- (2R)-2-[[(8S,9S,12R,15R,18R,21S,27R)-12-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
- IUPAC
- (2R)-2-[[(8S,9S,12R,15R,18R,21S,27R)-12-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 462 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 82
- 형식 전하
- 0
- 복잡도
- 2,400
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…