Structure

Alarin(human)

CAS
909409-86-5
Catalog Number
ACM909409865
Category
Other Products
Molecular Formula
C127H205N43O35

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What is the molecular formula of Alarin(human)?

The molecular formula of Alarin(human) is C127H205N43O35.

What is the molecular weight of Alarin(human)?

The molecular weight of Alarin(human) is 2894.3 g/mol.

When was Alarin(human) created?

Alarin(human) was created on February 16, 2015.

When was Alarin(human) last modified?

Alarin(human) was last modified on December 30, 2023.

What are the computed descriptors of Alarin(human)?

The computed descriptors of Alarin(human) include the IUPAC name, InChI, InChIKey, Canonical SMILES, and Isomeric SMILES.

What is the IUPAC name of Alarin(human)?

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.

What is the InChI representation of Alarin(human)?

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.

What is the InChIKey of Alarin(human)?

The InChIKey of Alarin(human) is PCBOMAIVIHZVAW-VJGFNDCKSA-N.

What is the Canonical SMILES of Alarin(human)?

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

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