기본 정보
- 표준 SMILES
CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@H](CCC(=O)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](CC(=O)O)N=C(O)[C@@H]2CCCN2C1=O- InChIKey
WOTYFQQVCLMODP-QJHFTDIGSA-N- 분자식
- C62H84N14O16
- 평균 분자량
- 1,281.4 g/mol
- 단동위원소 질량
- 1,280.61897261
개요
Anacyclamide A11 is a peptide.
이름 및 식별자
- 우선 이름
- Anacyclamide A11
- IUPAC
- 3-[(3S,9S,12S,15S,21S,24S,27S,30R,33S)-27-(2-amino-2-oxoethyl)-3,9-bis[(2S)-butan-2-yl]-30-(carboxymethyl)-12,24-bis(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-15-yl]propanoic acid
이름 및 동의어
Anacyclamide A113-[(3S,9S,12S,15S,21S,24S,27S,30R,33S)-27-(2-amino-2-oxoethyl)-3,9-bis[(2S)-butan-2-yl]-30-(carboxymethyl)-12,24-bis(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-15-yl]propanoic acid3-((3R,6S,9S,12S,18S,21S,24S,30S,35aS)-9,21-bis((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-24,30-di((S)-sec-butyl)-3-(carboxymethyl)-12-isobutyl-1,4,7,10,13,16,19,22,25,28,31-undecaoxotetratriacontahydro-1H-pyrrolo(1,2-a)(1,4,7,10,13,16,19,22,25,28,31)undecaazacyclotritriacontin-18-yl)propanoic acid3-((3R,6S,9S,12S,18S,21S,24S,30S,35aS)-9,21-bis((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-24,30-di((S)-sec-butyl)-3-(carboxymethyl)-12-isobutyl-1,4,7,10,13,16,19,22,25,28,31-undecaoxotetratriacontahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotritriacontin-18-yl)propanoic acid3-((3S,9S,12S,15S,21S,24S,27S,30R,33S)-27-(2-amino-2-oxoethyl)-3,9-bis((2S)-butan-2-yl)-30-(carboxymethyl)-12,24-bis(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo(31.3.0)hexatriacontan-15-yl)propanoic acidRefChem:1124813-((3R,6S,9S,12S,18S,21S,24S,30S,35AS)-24,30-bis((2S)-butan-2-yl)-3-(carboxymethyl)-1,4,7,10,13,16,19,22,25,28-decahydroxy-6-((C-hydroxycarbonimidoyl)methyl)-9,21-bis((1H-indol-3-yl)methyl)-12-(2-methylpropyl)-31-oxo-3H,6H,9H,12H,15H,18H,21H,24H,27H,30H,31H,33H,34H,35H,35ah-pyrrolo(1,2-a)1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-18-yl)propanoate3-[(3R,6S,9S,12S,18S,21S,24S,30S,35AS)-24,30-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-1,4,7,10,13,16,19,22,25,28-decahydroxy-6-[(C-hydroxycarbonimidoyl)methyl]-9,21-bis[(1H-indol-3-yl)methyl]-12-(2-methylpropyl)-31-oxo-3H,6H,9H,12H,15H,18H,21H,24H,27H,30H,31H,33H,34H,35H,35ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-18-yl]propanoateCHEBI:221736
데이터베이스 식별자
- ChEBI
CHEBI:221736
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 461 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 92
- 형식 전하
- 0
- 복잡도
- 2,700
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