Chemical Compound
6-amino-2-[2-(2-{6-amino-2-[(7-{2-[2-(2-{[21-(2-{[10-(15-{6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanamido}-12-(2-carboxyethyl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido)-9-methyl-1,4,11-trioxo-tetradecahydropyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl]formamido}-3-methylbutanamido)-9-(2-carbamoylethyl)-6-ethylidene-15,22-dimethyl-12-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosan-3-yl]formamido}-3-phenylpropanamido)-4-methylpentanamido]-4-carbamoylbutanamido}-14-(carbamoylmethyl)-8,20-dimethyl-4-(2-methylpropyl)-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl)formamido]hexanamido}-3-methylpentanamido)prop-2-enamido]hexanoic acid
CAS Registry Number
1393-38-0
Primary record
6-amino-2-[2-(2-{6-amino-2-[(7-{2-[2-(2-{[21-(2-{[10-(15-{6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanamido}-12-(2-carboxyethyl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido)-9-methyl-1,4,11-trioxo-tetradecahydropyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl]formamido}-3-methylbutanamido)-9-(2-carbamoylethyl)-6-ethylidene-15,22-dimethyl-12-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosan-3-yl]formamido}-3-phenylpropanamido)-4-methylpentanamido]-4-carbamoylbutanamido}-14-(carbamoylmethyl)-8,20-dimethyl-4-(2-methylpropyl)-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl)formamido]hexanamido}-3-methylpentanamido)prop-2-enamido]hexanoic acid
- 库存
- 987 克
- 纯度
- 98.6 %
- CAS
- 1393-38-0
化合物标识与属性
- CAS
- 1393-38-0
- PubChem CID
- 16133216
- SMILES
- CCC(C)C(C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CSC(C2C(=O)NC(CSC(C(C(=O)NC(C(=O)N2)CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CSC(C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=CC)C(=O)N4)CCC(=O)N)CC(C)C)C)NC(=O)C(C(C)C)NC(=O)C5CSC(C(C(=O)N6CCCC6C(=O)NCC(=O)N5)NC(=O)C7CSCC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N7)CC(C)C)CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC8=CNC9=CC=CC=C98)N)C)C)C)C(=O)NC(C(=O)N1)CC(=O)N)C
- Canonical SMILES
- C=C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CSC(C)C2NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc3ccccc3)NC(=O)C3CSC(C)C(NC(=O)C(NC(=O)C4CSC(C)C(NC(=O)C5CSCC(NC(=O)C(CCCCN)NC(=O)C(N)Cc6c[nH]c7ccccc67)C(=O)NC(CCC(=O)O)C(=O)NC(=C)C(=O)NC(CC(C)C)C(=O)N5)C(=O)N5CCCC5C(=O)NCC(=O)N4)C(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(=CC)C(=O)N3)C(C)SCC(NC2=O)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(=O)NC(CCCCN)C(=O)O
名称与同义词
- Subtilin
- Subtilin (8CI,9CI)
- J39.130A
- 1393-38-0
- 6-amino-2-[2-(2-{6-amino-2-[(7-{2-[2-(2-{[21-(2-{[10-(15-{6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanamido}-12-(2-carboxyethyl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido)-9-methyl-1,4,11-trioxo-tetradecahydropyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl]formamido}-3-methylbutanamido)-9-(2-carbamoylethyl)-6-ethylidene-15,22-dimethyl-12-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosan-3-yl]formamido}-3-phenylpropanamido)-4-methylpentanamido]-4-carbamoylbutanamido}-14-(carbamoylmethyl)-8,20-dimethyl-4-(2-methylpropyl)-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl)formamido]hexanamido}-3-methylpentanamido)prop-2-enamido]hexanoic acid
- L-Trp-L-Lys-D-Cys(1)-L-Glu-Dha-L-Leu-L-Ala(1)-3-Mercapto(2)-D-Abu-L-Pro-Gly-L-Ala(2)-L-Val-3-mercapto(3)-D-Abu-Gly-L-Ala-L-Leu-L-Gln-3-methyl-Dha-L-Ala(3)-L-Phe-L-Leu-L-Gln-3-mercapto(4)-D-Abu-L-Leu-3-mercapto(5)-D-Abu-L-Ala(4)-L-Asn-L-Ala(5)-L-Lys-L-Ile-Dha-L-Lys-OH