기본 정보
- 표준 SMILES
C/C=C1/N=C(O)[C@H](C(C)C)N=C(O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCCC(O)CCC)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(=N)O)N(C)C(=O)[C@H]([C@@H](C)OC)N=C(O)[C@@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H]([C@@H](C)O)N=C1O- InChIKey
DJGAMFBGLLUORT-BVKVIBLSSA-N- 분자식
- C59H102N12O17
- 평균 분자량
- 1,251.5 g/mol
- 단동위원소 질량
- 1,250.7485898
개요
Minutibetaamide G is a keratan 6'-sulfate and an azamacrocycle.
이름 및 식별자
- 우선 이름
- Minutissamide G
- IUPAC
- 3-[(3S,6S,9R,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15,18-bis[(1R)-1-hydroxyethyl]-28-[(2S)-13-hydroxyhexadecan-2-yl]-6-[(1R)-1-methoxyethyl]-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide
이름 및 동의어
Minutissamide G3-[(3S,6S,9R,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15,18-bis[(1R)-1-hydroxyethyl]-28-[(2S)-13-hydroxyhexadecan-2-yl]-6-[(1R)-1-methoxyethyl]-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide3-((3S,6S,9R,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15,18-bis((1R)-1-hydroxyethyl)-28-((2S)-13-hydroxyhexadecan-2-yl)-6-((1R)-1-methoxyethyl)-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo(29.3.0)tetratriacontan-12-yl)propanamideRefChem:1589793-((3R,4R,7S,10E,13S,16S,19S,22R,25S,28S,33AS)-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-((C-hydroxycarbonimidoyl)methyl)-13,16-bis((1R)-1-hydroxyethyl)-3-((2S)-13-hydroxyhexadecan-2-yl)-25-((1R)-1-methoxyethyl)-22,27-dimethyl-26,29-dioxo-7-(propan-2-yl)-3H,4H,7H,10H,13H,16H,19H,22H,25H,26H,27H,28H,29H,31H,32H,33H,33ah-pyrrolo(2,1-c)1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl)propanimidate3-[(3R,4R,7S,10E,13S,16S,19S,22R,25S,28S,33AS)-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-[(C-hydroxycarbonimidoyl)methyl]-13,16-bis[(1R)-1-hydroxyethyl]-3-[(2S)-13-hydroxyhexadecan-2-yl]-25-[(1R)-1-methoxyethyl]-22,27-dimethyl-26,29-dioxo-7-(propan-2-yl)-3H,4H,7H,10H,13H,16H,19H,22H,25H,26H,27H,28H,29H,31H,32H,33H,33ah-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl]propanimidate
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 450 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 88
- 형식 전하
- 0
- 복잡도
- 2,410
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