For research use only. Not for therapeutic Use.
CAS Number | 1977557-97-3 |
Synonyms | (E,4S)-4-[[(2S)-2-[[(2S)-3-[3-[[4-[[(2S)-2-[[(2S)-2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]phenyl]-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid |
Molecular Formula | C65H84N10O11 |
Purity | ≥95% |
IUPAC Name | (E,4S)-4-[[(2S)-2-[[(2S)-3-[3-[[4-[[(2S)-2-[[(2S)-2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]phenyl]-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid |
InChI | InChI=1S/C65H84N10O11/c1-39(2)51(35-41(5)61(82)83)74(12)60(81)56(64(6,7)8)73-59(80)55(67-11)65(9,10)46-22-17-23-48(36-46)70-63(85)86-38-42-26-30-47(31-27-42)69-57(78)49(24-18-34-68-62(66)84)71-58(79)54(40(3)4)72-52(76)32-33-53(77)75-37-45-21-14-13-19-43(45)28-29-44-20-15-16-25-50(44)75/h13-17,19-23,25-27,30-31,35-36,39-40,49,51,54-56,67H,18,24,32-34,37-38H2,1-12H3,(H,69,78)(H,70,85)(H,71,79)(H,72,76)(H,73,80)(H,82,83)(H3,66,68,84)/b41-35+/t49-,51+,54-,55+,56+/m0/s1 |
InChIKey | ZMSFFQZNTRZZJB-QUAMOIMISA-N |
SMILES | CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CC(=CC=C1)NC(=O)OCC2=CC=C(C=C2)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC |