2-[[30-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-33-(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
기본 정보
- 표준 SMILES
CCC(C)C(NC(C)=O)C(=O)NC(CO)C(=O)NC1C(=O)NC(CCCNC(=N)N)C(=O)NC2CCCCNC(=O)CCC(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)NC(=O)C3CCC(=O)OCC(NC(=O)C4CCCN4C(=O)C(Cc4ccc(O)cc4)NC2=O)C(=O)NC(CC(=O)OC1C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N3- InChIKey
UHZXWOOHTDKOIX-UHFFFAOYSA-N- 분자식
- C80H105N19O22
- 평균 분자량
- 1,684.8 g/mol
- 단동위원소 질량
- 1,683.76815605
이름 및 식별자
- 우선 이름
- 2-[[30-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-33-(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
- IUPAC
- 2-[[30-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-33-(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
데이터베이스 식별자
- PubChem CID
- 155802357
- DTXSID
DTXSID101334683
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 622 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 121
- 형식 전하
- 0
- 복잡도
- 3,740
관련 반응
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