| SpectraBase Compound ID | CF073JxaTix |
|---|---|
| InChI | InChI=1S/C50H68N6O11/c1-32(2)41(44(59)53-39(29-34-23-25-37(57)26-24-34)46(61)56-28-16-22-40(56)47(62)65-30-35-17-10-8-11-18-35)54-43(58)38(52-45(60)42(33(3)4)55-49(64)67-50(5,6)7)21-14-15-27-51-48(63)66-31-36-19-12-9-13-20-36/h8-13,17-20,23-26,32-33,38-42,57H,14-16,21-22,27-31H2,1-7H3,(H,51,63)(H,52,60)(H,53,59)(H,54,58)(H,55,64)/t38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | ZBTACQRQYNVVSN-DCTXIGOOSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C50H68N6O11 |
| Exact Mass | 928.494607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lqKmKBpxLa |
|---|---|
| Name | TERT-BUTYLOXYCARBONYL-VALINE-(BENZYLOXYCARBONYL)LYSINE-VALINE-TYROSINE-PROLINE-O-BENZYL PENTAPEPTIDE |
| Comments | DI°=ˆ |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C50H68N6O11 |
| InChI | InChI=1S/C50H68N6O11/c1-32(2)41(44(59)53-39(29-34-23-25-37(57)26-24-34)46(61)56-28-16-22-40(56)47(62)65-30-35-17-10-8-11-18-35)54-43(58)38(52-45(60)42(33(3)4)55-49(64)67-50(5,6)7)21-14-15-27-51-48(63)66-31-36-19-12-9-13-20-36/h8-13,17-20,23-26,32-33,38-42,57H,14-16,21-22,27-31H2,1-7H3,(H,51,63)(H,52,60)(H,53,59)(H,54,58)(H,55,64)/t38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | ZBTACQRQYNVVSN-DCTXIGOOSA-N |
| Instrument Name | Bruker WP-80 |
| Literature Reference | V.I.SVERGUN, M.B.SMIRNOV, A.A.ANTONOV, E.P.KRYSIN, V.P.PANOV, T.KH.NIKITINA(1981) Khim.Farm.Zhurn.(Russ. Lang.): N5, 92-97. |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C2D6SO dimethylsulfo |