| SpectraBase Compound ID | 4rVJcLzaN0k |
|---|---|
| InChI | InChI=1S/C45H79N10O14P/c1-13-29(6)39(53(10)43(59)37(27(2)3)49-42(58)38(28(4)5)52(8)9)35(66-11)26-36(56)54-25-15-17-34(54)40(67-12)30(7)41(57)47-24-22-31-18-20-32(21-19-31)68-70(64,65)69-51-33(44(60)61)16-14-23-48-45(46)50-55(62)63/h18-21,27-30,33-35,37-40,51H,13-17,22-26H2,1-12H3,(H,47,57)(H,49,58)(H,60,61)(H,64,65)(H3,46,48,50)/t29-,30+,33-,34-,35+,37-,38-,39-,40+/m0/s1 |
| InChIKey | DAFBNFDAGITVRB-KBRUUNQVSA-N |
| Mol Weight | 1015.2 g/mol |
| Molecular Formula | C45H79N10O14P |
| Exact Mass | 1014.551484 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4amb6hMRSmd |
|---|---|
| Name | NITROARGININE_AURISTATIN_TP |
| Compound Number | 3H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78N10O14P |
| InChI | InChI=1S/C45H79N10O14P/c1-13-29(6)39(53(10)43(59)37(27(2)3)49-42(58)38(28(4)5)52(8)9)35(66-11)26-36(56)54-25-15-17-34(54)40(67-12)30(7)41(57)47-24-22-31-18-20-32(21-19-31)68-70(64,65)69-51-33(44(60)61)16-14-23-48-45(46)50-55(62)63/h18-21,27-30,33-35,37-40,51H,13-17,22-26H2,1-12H3,(H,47,57)(H,49,58)(H,60,61)(H,64,65)(H3,46,48,50)/t29-,30+,33-,34-,35+,37-,38-,39-,40+/m0/s1 |
| InChIKey | DAFBNFDAGITVRB-KBRUUNQVSA-N |
| Literature Reference Author | G.R.PETTIT,F.HOGAN,S.TOMS |
| Literature Reference Citation | J.NAT.PROD.,74,962(2011) |
| Literature Reference DOI | 10.1021/np1007334 |
| Solvent | CD3OD |
| Source File Reference | UWMZ38057 |