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Vial of Frag 176-191

Fragment 176-191

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$29.99$39.99

Concentration
2 mg per vial
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This product is prepared for LABORATORY RESEARCH USE ONLY and may not be used for other purposes.

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Properties

Molecular Formula C78H123N23O22S2
Molecular Weight 1799.1
Monoisotopic Mass 1797.86544499
Polar Area 784
Complexity 3670
XLogP -3.4
Heavy Atom Count 125
Hydrogen Bond Donor Count 26
Hydrogen Bond Acceptor Count 29
Rotatable Bond Count 63
Physical Appearance Fine White Lyophilized Powder
Stability Lyophilized protein is to be stored at -20°C. It is recommended to aliquot the reconstituted (dissolved) protein into several discrete vials in order to avoid repeated freezing and thawing. Reconstituted protein can be stored at 4°C
PubChem LCSS Fragment 176-191 Laboratory Chemical Safety Summary

Identifiers

CID 16131230
CAS 66004-57-7
InChI InChI=1S/C78H123N23O22S2/c1-9-42(8)62(101-69(114)49(23-17-29-88-78(85)86)92-70(115)51(30-39(2)3)95-64(109)46(80)31-43-18-12-10-13-19-43)74(119)100-61(41(6)7)76(121)122-58(106)27-25-50(66(111)90-34-59(107)123-75(120)52(32-44-20-14-11-15-21-44)91-57(105)33-89-67(112)54(37-124)97-65(110)47(81)35-102)94-73(118)60(40(4)5)99-71(116)53(36-103)96-68(113)48(22-16-28-87-77(83)84)93-72(117)55(38-125)98-63(108)45(79)24-26-56(82)104/h10-15, 18-21, 38-42, 45-55, 60-62, 102-103, 124H, 9, 16-17, 22-37, 79-81H2, 1-8H3, (H2, 82, 104)(H, 89, 112)(H, 90, 111)(H, 91, 105)(H, 92, 115)(H, 93, 117)(H, 94, 118)(H, 95, 109)(H, 96, 113)(H, 97, 110)(H, 98, 108)(H, 99, 116)(H, 100, 119)(H, 101, 114)(H4, 83, 84, 87)(H4, 85, 86, 88)/t42-, 45-, 46-, 47-, 48-, 49-, 50-, 51-, 52-, 53-, 54-, 55-, 60-, 61-, 62-/m0/s1
InChIKey LSTCHEVTSMJOCE-YWWHUHEESA-N
Isomeric SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC(=O)CC[C@@H](C(=O)NCC(=O)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C=S)NC(=O)[C@H](CCC(=O)N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N
Canonical SMILES CCC(C)C(C(=O)NC(C(C)C)C(=O)OC(=O)CCC(C(=O)NCC(=O)OC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CS)NC(=O)C(CO)N)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(C=S)NC(=O)C(CCC(=O)N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)N
IUPAC Name [(2S)-2-[[(2S, 3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl] (4S)-5-[[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]oxy-2-oxoethyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2R)-2-[[(2S)-2, 5-diamino-5-oxopentanoyl]amino]-3-sulfanylidenepropanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoate

2D Structure

Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)

Fragment 176-191 2D molecular structure vector generated with oBabel

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