![SB-203208;4-(AMINOCARBONYL)-7-{[(2-AMINO-3-METHYL-PENTANOYL)-AMINOSULPHONYL]ACETAMIDO}-2,4A,5,6,7,7A-HEXYHYDRO-6-(2-AMINO-3-PHENYLBUTANOYL-OXY)-2-M](/api/spectrum/BvCtpxJi2Xd/structure.png?h=300&w=458 "SB-203208;4-(AMINOCARBONYL)-7-{[(2-AMINO-3-METHYL-PENTANOYL)-AMINOSULPHONYL]ACETAMIDO}-2,4A,5,6,7,7A-HEXYHYDRO-6-(2-AMINO-3-PHENYLBUTANOYL-OXY)-2-M")
| SpectraBase Compound ID | HPoioUuYwJu |
|---|---|
| InChI | InChI=1S/C29H42N6O9S/c1-5-15(2)23(30)26(38)34-45(42,43)14-22(36)33-29(28(40)41)20-13-35(4)12-19(25(32)37)18(20)11-21(29)44-27(39)24(31)16(3)17-9-7-6-8-10-17/h6-10,12,15-16,18,20-21,23-24H,5,11,13-14,30-31H2,1-4H3,(H2,32,37)(H,33,36)(H,34,38)(H,40,41)/t15?,16?,18-,20+,21-,23?,24?,29+/m0/s1 |
| InChIKey | UEPCEXDSBHEBAB-SSVBUACRSA-N |
| Mol Weight | 650.7 g/mol |
| Molecular Formula | C29H42N6O9S |
| Exact Mass | 650.273398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvCtpxJi2Xd |
|---|---|
| Name | SB-203208;4-(AMINOCARBONYL)-7-{[(2-AMINO-3-METHYL-PENTANOYL)-AMINOSULPHONYL]ACETAMIDO}-2,4A,5,6,7,7A-HEXYHYDRO-6-(2-AMINO-3-PHENYLBUTANOYL-OXY)-2-M |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42N6O9S |
| InChI | InChI=1S/C29H42N6O9S/c1-5-15(2)23(30)26(38)34-45(42,43)14-22(36)33-29(28(40)41)20-13-35(4)12-19(25(32)37)18(20)11-21(29)44-27(39)24(31)16(3)17-9-7-6-8-10-17/h6-10,12,15-16,18,20-21,23-24H,5,11,13-14,30-31H2,1-4H3,(H2,32,37)(H,33,36)(H,34,38)(H,40,41)/t15?,16?,18-,20+,21-,23?,24?,29+/m0/s1 |
| InChIKey | UEPCEXDSBHEBAB-SSVBUACRSA-N |
| Literature Reference Author | C.S.V.HOUGE-FRYDRYCH,M.L.GILPIN,P.W.SKETT,J.W.TYLER |
| Literature Reference Citation | J.ANTIBIOTICS,53,364(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.364 |
| Molecular Weight | 650.747 g/mol |
| Solvent | D2O |
| Source File Reference | UWBS246 |