Dolastatin 18 [Dhex-L-leu-N-Me-D-Phe-Doe]

SpectraBase Compound ID	1QKH5rzDGlX
InChI	InChI=1S/C35H46N4O4S/c1-7-14-30(40)35(4,5)34(43)38-28(21-24(2)3)33(42)39(6)29(23-26-17-12-9-13-18-26)31(41)37-27(32-36-19-20-44-32)22-25-15-10-8-11-16-25/h8-13,15-20,24,27-29H,7,14,21-23H2,1-6H3,(H,37,41)(H,38,43)/t27-,28-,29+/m0/s1
InChIKey	UIDOZVWMHKZYAU-YTCPBCGMSA-N Google Search
Mol Weight	618.8 g/mol
Molecular Formula	C35H46N4O4S
Exact Mass	618.323977 g/mol

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SpectraBase Spectrum ID	IYorQ89rMa7
Name	Dolastatin 18 [Dhex-L-leu-N-Me-D-Phe-Doe]
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C35H46N4O4S
InChI	InChI=1S/C35H46N4O4S/c1-7-14-30(40)35(4,5)34(43)38-28(21-24(2)3)33(42)39(6)29(23-26-17-12-9-13-18-26)31(41)37-27(32-36-19-20-44-32)22-25-15-10-8-11-16-25/h8-13,15-20,24,27-29H,7,14,21-23H2,1-6H3,(H,37,41)(H,38,43)/t27-,28-,29+/m0/s1
InChIKey	UIDOZVWMHKZYAU-YTCPBCGMSA-N
Molecular Weight	618.837 g/mol
SMILES	N(C([C@](N(C([C@@](NC(C(C(=O)CCC)(C)C)=O)(CC(C)C)[H])=O)C)(Cc1ccccc1)[H])=O)[C@](c1nccs1)(Cc1ccccc1)[H]
SPLASH	splash10-014i-0000903000-488228f1cdcd8fe3a8a7
Source of Spectrum	F-69-4022-2
Synonyms	2,2-dimethyl-N-[(2S)-4-methyl-1-[methyl-[(2R)-1-oxo-3-phenyl-1-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propan-2-yl]amino]-1-oxopentan-2-yl]-3-oxohexanamide 2,2-dimethyl-N-[(2S)-4-methyl-1-[methyl-[(2R)-1-oxo-3-phenyl-1-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propan-2-yl]amino]-1-oxopentan-2-yl]-3-oxohexanamide N-[(1S)-1-[[(1R)-1-benzyl-2-oxo-2-[[(1S)-2-phenyl-1-thiazol-2-yl-ethyl]amino]ethyl]-methyl-carbamoyl]-3-methyl-butyl]-2,2-dimethyl-3-oxo-hexanamide 2,2-dimethyl-N-[(2S)-4-methyl-1-[methyl-[(2R)-1-oxidanylidene-3-phenyl-1-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-3-oxidanylidene-hexanamide
Wiley ID	1595228