Tubulysin H
AlkaPlorer ID: AK036244
Synonym: None
IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[acetyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H]1CCCCN1C)C(=O)N(COC(C)=O)[C@H](C[C@@H](OC(C)=O)C1=NC(C(O)=N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)=CS1)C(C)C
InChI: InChI=1S/C40H59N5O9S/c1-9-25(4)35(43-37(49)32-17-13-14-18-44(32)8)39(50)45(23-53-27(6)46)33(24(2)3)21-34(54-28(7)47)38-42-31(22-55-38)36(48)41-30(19-26(5)40(51)52)20-29-15-11-10-12-16-29/h10-12,15-16,22,24-26,30,32-35H,9,13-14,17-21,23H2,1-8H3,(H,41,48)(H,43,49)(H,51,52)/t25-,26-,30+,32+,33+,34+,35-/m0/s1
InChIKey: CYTBBNFQKZOQJE-YRKZXFTRSA-N
Source
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Properties Information
Molecule Weight: 786.0050000000001
TPSA？: 191.52
MolLogP？: 6.393400000000007
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 3
Activities Information
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