90937-40-9 Purity
96%
If you have any other questions or need other size, please get a quote.
The molecular formula of Alarin(human) is C127H205N43O35.
The molecular weight of Alarin(human) is 2894.3 g/mol.
Alarin(human) was created on February 16, 2015.
Alarin(human) was last modified on December 30, 2023.
The computed descriptors of Alarin(human) include the IUPAC name, InChI, InChIKey, Canonical SMILES, and Isomeric SMILES.
The IUPAC name of Alarin(human) is (4S)-4-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.
The InChI representation of Alarin(human) is InChI=1S/C127H205N43O35/c1-63(2)52-83(108(189)151-80(35-22-48-144-127(138)139)105(186)163-89(61-173)123(204)205)159-115(196)92-38-24-50-169(92)121(202)82(39-41-93(131)177)156-102(183)76(33-20-46-142-125(134)135)149-94(178)58-146-101(182)75(32-19-45-141-124(132)133)150-106(187)81(40-42-95(179)180)155-117(198)97(67(7)174)165-107(188)78(31-16-18-44-129)154-118(199)99(69(9)176)167-116(197)96(64(3)4)164-110(191)84(54-71-56-145-74-29-14-13-28-73(71)74)158-103(184)77(30-15-17-43-128)153-114(195)91-37-25-51-170(91)122(203)86(53-70-26-11-10-12-27-70)160-119(200)98(68(8)175)166-112(193)88(60-172)162-111(192)87(59-171)161-104(185)79(34-21-47-143-126(136)137)152-109(190)85(55-72-57-140-62-147-72)157-100(181)66(6)148-113(194)90-36-23-49-168(90)120(201)65(5)130/h10-14,26-29,56-57,62-69,75-92,96-99,145,171-176H,15-25,30-55,58-61,128-130H2,1-9H3,(H2,131,177)(H,140,147)(H,146,182)(H,148,194)(H,149,178)(H,150,187)(H,151,189)(H,152,190)(H,153,195)(H,154,199)(H,155,198)(H,156,183)(H,157,181)(H,158,184)(H,159,196)(H,160,200)(H,161,185)(H,162,192)(H,163,186)(H,164,191)(H,165,188)(H,166,193)(H,167,197)(H,179,180)(H,204,205)(H4,132,133,141)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)/t65-,66-,67+,68+,69+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,96-,97-,98-,99-/m0/s1.
The InChIKey of Alarin(human) is PCBOMAIVIHZVAW-VJGFNDCKSA-N.
The Canonical SMILES of Alarin(human) is CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC6=CNC=N6)NC(=O)C