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AOD-9604 in a labeled transparent vial

AOD 9604

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$25.99$28.99

Concentration
2 mg per vial

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Properties

Molecular Formula C78H123N23O23S2
Molecular Weight 1815.1
Monoisotopic Mass 1813.86035961
Polar Area 815
Complexity 3710
XLogP -4.8
Heavy Atom Count 126
Hydrogen Bond Donor Count 28
Hydrogen Bond Acceptor Count 28
Rotatable Bond Count 45
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 AOD 9604 Laboratory Chemical Safety Summary

Identifiers

CID 71300630
CAS 221231-10-3
InChI InChI=1S/C78H123N23O23S2/c1-9-41(8)62(101-68(115)47(18-14-28-86-78(83)84)91-69(116)50(29-38(2)3)95-63(110)45(79)30-43-19-21-44(104)22-20-43)75(122)100-61(40(6)7)74(121)94-49(23-25-56(80)105)67(114)98-55-37-126-125-36-54(65(112)88-32-57(106)89-51(76(123)124)31-42-15-11-10-12-16-42)97-70(117)52(34-102)90-58(107)33-87-64(111)48(24-26-59(108)109)93-73(120)60(39(4)5)99-71(118)53(35-103)96-66(113)46(92-72(55)119)17-13-27-85-77(81)82/h10-12, 15-16, 19-22, 38-41, 45-55, 60-62, 102-104H, 9, 13-14, 17-18, 23-37, 79H2, 1-8H3, (H2, 80, 105)(H, 87, 111)(H, 88, 112)(H, 89, 106)(H, 90, 107)(H, 91, 116)(H, 92, 119)(H, 93, 120)(H, 94, 121)(H, 95, 110)(H, 96, 113)(H, 97, 117)(H, 98, 114)(H, 99, 118)(H, 100, 122)(H, 101, 115)(H, 108, 109)(H, 123, 124)(H4, 81, 82, 85)(H4, 83, 84, 86)/t41-, 45-, 46-, 47-, 48-, 49-, 50-, 51-, 52-, 53-, 54-, 55-, 60-, 61-, 62-/m0/s1
InChIKey GVIYUKXRXPXMQM-BPXGDYAESA-N
Isomeric SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCNC(=N)N)CO)C(C)C)CCC(=O)O)CO)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Canonical SMILES CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC1CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCNC(=N)N)CO)C(C)C)CCC(=O)O)CO)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)O)N
IUPAC Name (2S)-2-[[2-[[(4R, 7S, 13S, 16S, 19S, 22S, 25R)-25-[[(2S)-5-amino-2-[[(2S)-2-[[(2S, 3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-22-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-7, 19-bis(hydroxymethyl)-6, 9, 12, 15, 18, 21, 24-heptaoxo-16-propan-2-yl-1, 2-dithia-5, 8, 11, 14, 17, 20, 23-heptazacyclohexacosane-4-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid

2D Structure

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

AOD 9604 2D molecular structure vector generated with oBabel

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