Product Usage: This PRODUCT IS INTENDED AS A RESEARCH CHEMICAL ONLY. This designation allows the use of research chemicals strictly for in vitro testing and laboratory experimentation only. All product information available on this website is for educational purposes only. Bodily introduction of any kind into humans or animals is strictly forbidden by law. This product should only be handled by licensed, qualified professionals. This product is not a drug, food, or cosmetic and may not be misbranded, misused or mislabeled as a drug, food or cosmetic.

AOD9604 5mg

Name: AOD9604 5mg
SKU: 8468
Availability: InStock

$36.00

View COA

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

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