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4-Pentynoyl-val-ala-PAB
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4-Pentynoyl-val-ala-PAB

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Catalog NumberCCR1956294759
CAS1956294-75-9
Synonyms4-Pentynoyl-val-ala-PAB-OH
IUPAC Name(2S)-N-[(2S)-1-[4-(Hydroxymethyl)anilino]-1-oxopropan-2-yl]-3-methyl-2-(pent-4-ynoylamino)butanamide
Molecular Weight373.4
Molecular FormulaC20H27N3O4
Canonical SMILESCC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCC#C
InChIInChI=1S/C20H27N3O4/c1-5-6-7-17(25)23-18(13(2)3)20(27)21-14(4)19(26)22-16-10-8-15(12-24)9-11-16/h1,8-11,13-14,18,24H,6-7,12H2,2-4H3,(H,21,27)(H,22,26)(H,23,25)/t14-,18-/m0/s1
InChI KeyZCRVRFUMZRBARG-KSSFIOAISA-N
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity559
Exact Mass373.20015635
Isomeric SMILESC[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C(C)C)NC(=O)CCC#C
Monoisotopic Mass373.20015635
Topological Polar Surface Area108 Ų

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