Name: Defensin NP-3A
Brand: MedChemExpress
SKU: HY-P3981-Get quote

brand	MedChemExpress
catalog number	HY-P3981-Get quote
cas	134090-73-6
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(2S)-2-[[(1R,4S,7S,10S,13S,16R,22S,25S,28S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-13,37-dibenzyl-4,7,10,34,52,67,76-heptakis(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-25,58-bis(carboxymethyl)-28,40-bis(hydroxymethyl)-46,70-bis[(4-hydroxyphenyl)methyl]-64,90-dimethyl-2,5,8,11,14,17,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-55,73-di(propan-2-yl)-84,85,94,95,98,99-hexathia-3,6,9,12,15,18,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosazatetracyclo[47.43.4.416,79.018,22]hectane-82-carbonyl]amino]-3-hydroxypropanoic acid (CAS 134090-73-6) is a chemical compound with the molecular formula C151H233N53O44S6 and a molecular weight of 3687.2 g/mol. IUPAC name: (2S)-2-[[(1R,4S,7S,10S,13S,16R,22S,25S,28S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-13,37-dibenzyl-4,7,10,34,52,67,76-heptakis(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-25,58-bis(carboxymethyl)-28,40-bis(hydroxymethyl)-46,70-bis[(4-hydroxyphenyl)methyl]-64,90-dimethyl-2,5,8,11,14,17,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-55,73-di(propan-2-yl)-84,85,94,95,98,99-hexathia-3,6,9,12,15,18,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosazatetracyclo[47.43.4.416,79.018,22]hectane-82-carbonyl]amino]-3-hydroxypropanoic acid. InChIKey: WGIWKPAHMJMNNZ-DCKQUMMGSA-N.

Identity
Molecular formula	C₁₅₁H₂₃₃N₅₃O₄₄S₆
Molecular weight	3687.2 g/mol
IUPAC name	(2S)-2-[[(1R,4S,7S,10S,13S,16R,22S,25S,28S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-13,37-dibenzyl-4,7,10,34,52,67,76-heptakis(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-25,58-bis(carboxymethyl)-28,40-bis(hydroxymethyl)-46,70-bis[(4-hydroxyphenyl)methyl]-64,90-dimethyl-2,5,8,11,14,17,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-55,73-di(propan-2-yl)-84,85,94,95,98,99-hexathia-3,6,9,12,15,18,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosazatetracyclo[47.43.4.416,79.018,22]hectane-82-carbonyl]amino]-3-hydroxypropanoic acid
InChIKey	WGIWKPAHMJMNNZ-DCKQUMMGSA-N
SMILES	CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CSSC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC5=CC=CC=C5)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC1=O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCNC(=N)N)C(C)C)CC6=CC=C(C=C6)O)CCCNC(=N)N)C)CC(=O)O)C(C)C)CCCNC(=N)N)CC7=CC=C(C=C7)O)CO)CC8=CC=CC=C8)CCCNC(=N)N)CCC(=O)O)CO)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN